Geometry & MOs

Info

ID:	166520
PubChem CID:	74703863
Reduced:	ClNO5H19C25 (1)
Stoich.:	ABC5D19E25 (1)
Weight, g/mol:	446.115911
ΔH_f, kcal/mol:	-61.12
Dipole, Da:	7.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.145760
Charge, e:	-1

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-4,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-ylidene]-(4-methoxyphenyl)methanolate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2C(=C(C3=CC=CC=C3)[O-])C(=O)C(=O)N2C4=CC(=CC=C4)Cl

DOS

IR

Vibrations