Geometry & MOs

Info

ID:	64961
PubChem CID:	29204255
Reduced:	ClSN3O4C15H16 (1)
Stoich.:	ABC3D4E15F16 (1)
Weight, g/mol:	320.098334
ΔH_f, kcal/mol:	-78.26
Dipole, Da:	9.07
IP(EA), eV:	-9.77(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-phenylthiophen-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(OC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NCC2=CN=CC=C2

DOS

IR

Vibrations