Geometry & MOs

Info

ID:	126034
PubChem CID:	50949077
Reduced:	SO2N4H16C19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	41.54
Dipole, Da:	4.61
IP(EA), eV:	-8.64(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-ethyl-N-[(E)-3-phenylprop-2-enyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N(C=N2)CCC(=O)NC3=NC=CS3)C4=CC=CO4

DOS

IR

Vibrations