Geometry & MOs

Info

ID:	300821
PubChem CID:	123055124
Reduced:	BrClNO4H23C27 (1)
Stoich.:	ABCD4E23F27 (1)
Weight, g/mol:	539.0499
ΔH_f, kcal/mol:	-90.33
Dipole, Da:	8.5
IP(EA), eV:	-8.8(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC=C(C=C4)Br)Cl

DOS

IR

Vibrations