Geometry & MOs

Info

ID:	338655
PubChem CID:	127259666
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	333.08235
ΔH_f, kcal/mol:	-4.55
Dipole, Da:	5.31
IP(EA), eV:	-9.32(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-3-oxo-3-phenyl-1-thiophen-2-ylprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations