Geometry & MOs

Info

ID:	7429
PubChem CID:	72555
Reduced:	NSO2C10H12 (2)
Stoich.:	ABC2D10E12 (2)
Weight, g/mol:	420.11775
ΔH_f, kcal/mol:	-144.44
Dipole, Da:	3.51
IP(EA), eV:	-9.09(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxypropyl)-2-[[2-(2-hydroxypropylcarbamoyl)phenyl]disulfanyl]benzamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCC(C)O)O

DOS

IR

Vibrations