Geometry & MOs

Info

ID:	158485
PubChem CID:	56463955
Reduced:	S2N3O3C21H29 (1)
Stoich.:	A2B3C3D21E29 (1)
Weight, g/mol:	437.185175
ΔH_f, kcal/mol:	-102.04
Dipole, Da:	7.62
IP(EA), eV:	-9.04(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-acetamido-5-methylphenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NCC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations