Geometry & MOs

Info

ID:	176163
PubChem CID:	76002698
Reduced:	Cl2N2O5C30H34 (1)
Stoich.:	A2B2C5D30E34 (1)
Weight, g/mol:	417.139865
ΔH_f, kcal/mol:	-202.93
Dipole, Da:	1.89
IP(EA), eV:	-9.13(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-methylphenyl)sulfanyl-5-oxo-1,2-diphenylpyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C12CCCC=C1N(C(=O)C(C2)CC(=O)NCCC3=CC=CC=C3OC)CC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations