Geometry & MOs

Info

ID:	15995
PubChem CID:	457487
Reduced:	NSO2C11H14 (2)
Stoich.:	ABC2D11E14 (2)
Weight, g/mol:	448.14905
ΔH_f, kcal/mol:	-152.41
Dipole, Da:	2.35
IP(EA), eV:	-9.34(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxybutyl)-2-[[2-(4-hydroxybutylcarbamoyl)phenyl]disulfanyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations