Geometry & MOs

Info

ID:	193444
PubChem CID:	78395343
Reduced:	N5O5H13C16 (1)
Stoich.:	A5B5C13D16 (1)
Weight, g/mol:	471.159434
ΔH_f, kcal/mol:	-78.3
Dipole, Da:	4.04
IP(EA), eV:	-9.96(-2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=NC3=CC(=NC(=O)C=CC(=O)O)C=CC3=NC2C(=O)N(C1=O)C

DOS

IR

Vibrations