Geometry & MOs

Info

ID:	68458
PubChem CID:	46508450
Reduced:	OSN4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	433.126026
ΔH_f, kcal/mol:	22.85
Dipole, Da:	8.59
IP(EA), eV:	-9.01(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C)NC(=O)CSC2=NN=CN2C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations