Geometry & MOs

Info

ID:	82472
PubChem CID:	49856074
Reduced:	ClO2N3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	632.103556
ΔH_f, kcal/mol:	-13.11
Dipole, Da:	3.05
IP(EA), eV:	-8.89(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3E)-3-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-4,5-dioxopyrrolidin-2-yl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)C2(N=C(C(=N2)N)C)C3=CC(=C(C=C3)O)Cl

DOS

IR

Vibrations