Geometry & MOs

Info

ID:	300638
PubChem CID:	123050371
Reduced:	NCl2O3H21C26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	494.080013
ΔH_f, kcal/mol:	-55.64
Dipole, Da:	6.52
IP(EA), eV:	-9.12(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3Z)-2-(3,4-dichlorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC(=C3C)C)C4=CC(=C(C=C4)Cl)Cl)/O

DOS

IR

Vibrations