Geometry & MOs

Info

ID:	231218
PubChem CID:	87573020
Reduced:	NSi2C19H38 (1)
Stoich.:	AB2C19D38 (1)
Weight, g/mol:	473.139625
ΔH_f, kcal/mol:	-23.09
Dipole, Da:	7.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.783513
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-[3-fluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2-propyl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC(/C(=C(/C)\[Si])/C)NC1(CCCCC1)[Si](CC)(CC)CC

DOS

IR

Vibrations