Geometry & MOs

Info

ID:	166521
PubChem CID:	74703864
Reduced:	ClNO4H21C26 (1)
Stoich.:	ABC4D21E26 (1)
Weight, g/mol:	472.176013
ΔH_f, kcal/mol:	-46.31
Dipole, Da:	7.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768515
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)[O-]

DOS

IR

Vibrations