Geometry & MOs

Info

ID:	65937
PubChem CID:	46484611
Reduced:	SN4O4C21H22 (1)
Stoich.:	AB4C4D21E22 (1)
Weight, g/mol:	347.031972
ΔH_f, kcal/mol:	-57.21
Dipole, Da:	3.92
IP(EA), eV:	-8.85(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-propan-2-yl [2-(4-methylsulfonylanilino)-2-oxoethyl]sulfanylmethanethioate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SC(C)C(=O)NC3=C(C=CC(=C3C)C)[N+](=O)[O-]

DOS

IR

Vibrations