Geometry & MOs

Info

ID:	390166
PubChem CID:	134997525
Reduced:	NSO2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	303.125929
ΔH_f, kcal/mol:	28.48
Dipole, Da:	3.13
IP(EA), eV:	-9.55(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(4-methylphenyl)-4-oxobut-2-ynyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C#CCNC(=O)C2=CC=CS2

DOS

IR

Vibrations