Geometry & MOs

Info

ID:	60587
PubChem CID:	26697234
Reduced:	NSO2C10H13 (2)
Stoich.:	ABC2D10E13 (2)
Weight, g/mol:	422.1334
ΔH_f, kcal/mol:	-134.19
Dipole, Da:	7.12
IP(EA), eV:	-8.47(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-ethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@@H](CCSC)NS(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations