Geometry & MOs

Info

ID:	121594
PubChem CID:	50774217
Reduced:	NSO3C27H27 (1)
Stoich.:	ABC3D27E27 (1)
Weight, g/mol:	443.209658
ΔH_f, kcal/mol:	-41.52
Dipole, Da:	7.15
IP(EA), eV:	-8.49(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CC=C(C=C3)SC)O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations