Formula |
C6H10ClN3O4 |
IUPAC Name |
(2s)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoic acid |
Molecular Mass |
223.614 g·mol−1 |
Heat of Formation |
-607.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.55 ± 1.08 D |
Volume |
242.65 Å 3 |
Surface Area |
236.56 Å 2 |
HOMO Energy |
-10.52 ± 0.55 eV |
LUMO Energy |
-0.77 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[(2-chloroethyl-nitroso-carbamoyl)amino]propanoic acid
- (2s)-2-[(2-chloroethyl-nitroso-carbamoyl)amino]propionic acid
- (2s)-2-[(2-chloroethyl-nitrosocarbamoyl)amino]propanoic acid
- (2s)-2-[[(2-chloroethyl-nitrosoamino)-oxomethyl]amino]propanoic acid
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InChIKey |
ORNLZEDGUXUSMV-BYPYZUCNSA-N |
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Links |
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Elements |
H
C
N
O
Cl
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