Geometry & MOs

Info

ID:	343358
PubChem CID:	127266531
Reduced:	N2F3H9C13 (1)
Stoich.:	A2B3C9D13 (1)
Weight, g/mol:	349.057314
ΔH_f, kcal/mol:	-60.65
Dipole, Da:	3.14
IP(EA), eV:	-10.01(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=CC1=CC(=C(C(=C1)F)F)F)C2=NC=CN=C2

DOS

IR

Vibrations