2-[2-({Amino[Bis(2-Chloroethyl)Amino]Phosphoryl}Oxy)Ethyl]-1,3-Thiazinane-4-Carboxylic Acid

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Formula C11H22Cl2N3O4PS
IUPAC Name (2r,4s)-2-[2-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxyethyl]-1,3-thiazinane-4-carboxylic acid
Molecular Mass 394.255 g·mol−1
Heat of Formation -1027.2 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 425.66 Å 3
Surface Area 350.14 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.89 ± eV
Point Group Symmetry C1
InChIKey HGLRIYIVJRXBQM-ASWVTFRLSA-N
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Elements C Cl H O N P S