Geometry & MOs

Info

ID:	120760
PubChem CID:	50743703
Reduced:	NF2O4H21C25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	509.08379
ΔH_f, kcal/mol:	-173.62
Dipole, Da:	4.14
IP(EA), eV:	-8.97(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(C(=C(C2=O)O)C3=CC=CC=C3)C4=CC=C(C=C4)OC(F)F

DOS

IR

Vibrations