Geometry & MOs

Info

ID:	15998
PubChem CID:	457495
Reduced:	NSO2C13H16 (2)
Stoich.:	ABC2D13E16 (2)
Weight, g/mol:	500.18035
ΔH_f, kcal/mol:	-172.03
Dipole, Da:	3.65
IP(EA), eV:	-8.47(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxycyclohexyl)-2-[[2-[(4-hydroxycyclohexyl)carbamoyl]phenyl]disulfanyl]benzamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)NC4CCC(CC4)O)O

DOS

IR

Vibrations