Geometry & MOs

Info

ID:	7428
PubChem CID:	72554
Reduced:	NSO2C9H10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	392.086449
ΔH_f, kcal/mol:	-128.75
Dipole, Da:	2.32
IP(EA), eV:	-8.81(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylcarbamoyl)phenyl]disulfanyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCCO)SSC2=CC=CC=C2C(=O)NCCO

DOS

IR

Vibrations