Geometry & MOs

Info

ID:	69005
PubChem CID:	46515153
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	315.054084
ΔH_f, kcal/mol:	-106.2
Dipole, Da:	4.52
IP(EA), eV:	-8.95(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)C1=CC=CC=C1NC(=O)CC2CCC=C2

DOS

IR

Vibrations