Geometry & MOs

Info

ID:	231349
PubChem CID:	87573525
Reduced:	SiO4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	545.139625
ΔH_f, kcal/mol:	-204.88
Dipole, Da:	5.96
IP(EA), eV:	-8.87(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-(2-phenylethyl)-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C/C(=C\CC(=O)O[Si](C)(C)CC1=CC=CC=C1)/C(=O)O

DOS

IR

Vibrations