Geometry & MOs

Info

ID:	15997
PubChem CID:	457491
Reduced:	NSO2C11H14 (2)
Stoich.:	ABC2D11E14 (2)
Weight, g/mol:	448.14905
ΔH_f, kcal/mol:	-162.42
Dipole, Da:	4.24
IP(EA), eV:	-8.64(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxybutan-2-yl)-2-[[2-(1-hydroxybutan-2-ylcarbamoyl)phenyl]disulfanyl]benzamide

Drug info:

PubChemData

Smile

CCC(CO)NC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NC(CC)CO

DOS

IR

Vibrations