Geometry & MOs

Info

ID:	120761
PubChem CID:	50743704
Reduced:	BrNO5H24C26 (1)
Stoich.:	ABC5D24E26 (1)
Weight, g/mol:	509.08379
ΔH_f, kcal/mol:	-104.3
Dipole, Da:	2.65
IP(EA), eV:	-8.67(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=O)N(C2C3=CC(=CC=C3)Br)CC4=C(C=C(C=C4)OC)OC)O

DOS

IR

Vibrations