Geometry & MOs

Info

ID:	63772
PubChem CID:	26759159
Reduced:	NSCl2O3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	391.100892
ΔH_f, kcal/mol:	-104.84
Dipole, Da:	2.22
IP(EA), eV:	-8.8(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations