Geometry & MOs

Info

ID:	128162
PubChem CID:	51033147
Reduced:	N2O3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	534.13821
ΔH_f, kcal/mol:	-70.22
Dipole, Da:	2.12
IP(EA), eV:	-8.85(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[2-[(4-methoxy-3-methoxycarbonyl-4-oxo-1-phenylbutyl)disulfanyl]-2-phenylethyl]propanedioate

Drug info:

PubChemData

Smile

C[C@@]12C3=CC=CC=C3C(=O)N1C[C@@H]4C5=C(CCN4C2=O)C(=CC=C5)OC

DOS

IR

Vibrations