Geometry & MOs

Info

ID:	15994
PubChem CID:	457465
Reduced:	NOSC13H16 (2)
Stoich.:	ABCD13E16 (2)
Weight, g/mol:	468.190521
ΔH_f, kcal/mol:	-76.66
Dipole, Da:	3.46
IP(EA), eV:	-8.98(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[[2-(cyclohexylcarbamoyl)phenyl]disulfanyl]benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)NC4CCCCC4

DOS

IR

Vibrations