Geometry & MOs

Info

ID:	342411
PubChem CID:	127265234
Reduced:	O2N4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	329.111936
ΔH_f, kcal/mol:	-7.15
Dipole, Da:	7.24
IP(EA), eV:	-8.97(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-(2-methylsulfonylethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C=CC(=O)N2CCCC3=C2C=CC(=C3)C(=O)N

DOS

IR

Vibrations