Geometry & MOs

Info

ID:	177797
PubChem CID:	76231562
Reduced:	SO3N4C24H26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	395.17461
ΔH_f, kcal/mol:	-17.6
Dipole, Da:	10.03
IP(EA), eV:	-9.18(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzylpyrazol-3-yl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=NN2CC3=CC=CC=C3)S(=O)(=O)C=CC4=CC=CC=C4

DOS

IR

Vibrations