Geometry & MOs

Info

ID:	176164
PubChem CID:	76002857
Reduced:	NSO3H23C25 (1)
Stoich.:	ABC3D23E25 (1)
Weight, g/mol:	463.127586
ΔH_f, kcal/mol:	-59.13
Dipole, Da:	0.5
IP(EA), eV:	-8.77(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-methylphenyl)sulfanyl-1-(3-methylsulfanylphenyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2(CC(=O)N(C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations