Geometry & MOs

Info

ID:	172437
PubChem CID:	75510179
Reduced:	SN2O3F4C19H20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	308.077262
ΔH_f, kcal/mol:	-285.68
Dipole, Da:	7.35
IP(EA), eV:	-8.63(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)N2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3OC(F)(F)F

DOS

IR

Vibrations