Geometry & MOs

Info

ID:	177909
PubChem CID:	76250474
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	459.136511
ΔH_f, kcal/mol:	-64.06
Dipole, Da:	4.43
IP(EA), eV:	-8.25(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-phenylethenylsulfonylamino)-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1C(C(NC(=O)C1C#N)C)CCC(=O)NCC2CCN(C2)C3=CC=CC=C3

DOS

IR

Vibrations