Geometry & MOs

Info

ID:	28089
PubChem CID:	825470
Reduced:	ClSN2O2C15H23 (1)
Stoich.:	ABC2D2E15F23 (1)
Weight, g/mol:	224.094963
ΔH_f, kcal/mol:	-78.12
Dipole, Da:	4.67
IP(EA), eV:	-8.79(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-phenyl-N-pyridin-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1(CCCC(N1NS(=O)(=O)C2=CC=C(C=C2)Cl)(C)C)C

DOS

IR

Vibrations