Geometry & MOs

Info

ID:	220857
PubChem CID:	85240193
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	-19.38
Dipole, Da:	2.37
IP(EA), eV:	-8.76(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-phenylprop-2-enyl)-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=NOCSC)CCN2C(=O)C

DOS

IR

Vibrations