Geometry & MOs

Info

ID:	56220
PubChem CID:	17422663
Reduced:	OSN3H11C16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	301.077265
ΔH_f, kcal/mol:	81.16
Dipole, Da:	2.99
IP(EA), eV:	-8.89(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-methylsulfonylphenyl)-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC4=CC=CC=N4

DOS

IR

Vibrations