Geometry & MOs

Info

ID:	300645
PubChem CID:	123050523
Reduced:	BrNO3H22C26 (1)
Stoich.:	ABC3D22E26 (1)
Weight, g/mol:	507.06814
ΔH_f, kcal/mol:	-37.64
Dipole, Da:	8.45
IP(EA), eV:	-9.02(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)C)\O)/C(=O)C(=O)N2C4=CC(=CC=C4)Br

DOS

IR

Vibrations