Geometry & MOs

Info

ID:	223604
PubChem CID:	85335298
Reduced:	N2O3H28C29 (1)
Stoich.:	A2B3C28D29 (1)
Weight, g/mol:	452.161518
ΔH_f, kcal/mol:	-33.92
Dipole, Da:	4.19
IP(EA), eV:	-8.21(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(2-chlorobenzoyl)amino]-6-oxocyclohexa-2,4-dien-1-ylidene]-3-cyclopentyl-N-ethyl-1H-pyrazole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)NC3=CC=C(C=C3)CCNCC(C4=CC(=C(C=C4)O)C=O)O

DOS

IR

Vibrations