Formula |
C21H26N4O2S |
IUPAC Name |
1-[(4-aminophenyl)methyl]-3-[2-[(2r)-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]urea |
Molecular Mass |
398.522 g·mol−1 |
Heat of Formation |
-210.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.88 ± 1.08 D |
Volume |
481.72 Å 3 |
Surface Area |
414.26 Å 2 |
HOMO Energy |
-8.26 ± 0.55 eV |
LUMO Energy |
2.89 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
BWOIOAFNMATNEP-GOSISDBHSA-N |
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Elements |
H
C
S
O
N
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