Geometry & MOs

Info

ID:	16358
PubChem CID:	465329
Reduced:	NSO2H10C13 (2)
Stoich.:	ABC2D10E13 (2)
Weight, g/mol:	488.086449
ΔH_f, kcal/mol:	-75.28
Dipole, Da:	2.31
IP(EA), eV:	-8.85(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxyphenyl)-2-[[2-[(3-hydroxyphenyl)carbamoyl]phenyl]disulfanyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)O)SSC3=CC=CC=C3C(=O)NC4=CC(=CC=C4)O

DOS

IR

Vibrations