Geometry & MOs

Info

ID:	63812
PubChem CID:	26759236
Reduced:	ClNS2O5C17H22 (1)
Stoich.:	ABC2D5E17F22 (1)
Weight, g/mol:	406.075406
ΔH_f, kcal/mol:	-208.01
Dipole, Da:	6.04
IP(EA), eV:	-9.19(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CCN([C@H]1CCS(=O)(=O)C1)C(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations