Geometry & MOs

Info

ID:	60498
PubChem CID:	26697098
Reduced:	SN3O4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	403.213401
ΔH_f, kcal/mol:	-121.21
Dipole, Da:	3.66
IP(EA), eV:	-8.81(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-3-(1,3-diphenylpyrazol-4-yl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCN3CCOCC3

DOS

IR

Vibrations