Geometry & MOs

Info

ID:	401384
PubChem CID:	135051119
Reduced:	NSO2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	428.018676
ΔH_f, kcal/mol:	-16.1
Dipole, Da:	6.57
IP(EA), eV:	-9.15(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[[5-chloro-2-(ethylcarbamoyl)phenyl]disulfanyl]-N-ethylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=S)N(CC(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations