Geometry & MOs

Info

ID:	230946
PubChem CID:	87572305
Reduced:	O2C19H35 (2)
Stoich.:	A2B19C35 (2)
Weight, g/mol:	455.092675
ΔH_f, kcal/mol:	-286.01
Dipole, Da:	2.63
IP(EA), eV:	-9.57(-0.18)
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-methyl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCCCCC/C=C/CCCCCCCC(=O)C(O)(C(=O)CCCCCCC/C=C/CCCCCCCC)CO

DOS

IR

Vibrations