Geometry & MOs

Info

ID:	225856
PubChem CID:	87235763
Reduced:	ON2C25H42 (1)
Stoich.:	AB2C25D42 (1)
Weight, g/mol:	417.160994
ΔH_f, kcal/mol:	-137.49
Dipole, Da:	5.42
IP(EA), eV:	-9.36(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[oxo-bis(2-phenylethyl)-lambda6-sulfanylidene]amino]methyl]pentanedioic acid

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)N)C.CC12CC3CC(C1)(CC(C3)(C2)NC=O)C

DOS

IR

Vibrations