Geometry & MOs

Info

ID:	300818
PubChem CID:	123055111
Reduced:	BrClNO4H23C27 (1)
Stoich.:	ABCD4E23F27 (1)
Weight, g/mol:	519.10452
ΔH_f, kcal/mol:	-87.66
Dipole, Da:	7.62
IP(EA), eV:	-9.22(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2C(/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations