Geometry & MOs

Info

ID:	174456
PubChem CID:	75765570
Reduced:	NO5H22C26 (1)
Stoich.:	AB5C22D26 (1)
Weight, g/mol:	444.144712
ΔH_f, kcal/mol:	-31.6
Dipole, Da:	25.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.905122
Charge, e:	-1

Chem-info

IUPAC name:

4-[4-hydroxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=O)N(C2C3=CC=C(C=C3)C(=O)[O-])CC4=CC=C(C=C4)OC)O

DOS

IR

Vibrations