Geometry & MOs

Info

ID:	34100
PubChem CID:	7889810
Reduced:	NSCl2O3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	386.130028
ΔH_f, kcal/mol:	-109.12
Dipole, Da:	3.29
IP(EA), eV:	-8.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2,5-dimethylphenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations