Geometry & MOs

Info

ID:	133543
PubChem CID:	51545633
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	380.163711
ΔH_f, kcal/mol:	-134.31
Dipole, Da:	8.9
IP(EA), eV:	-8.71(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-diphenylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3CCC4=CC=CC=C43

DOS

IR

Vibrations