Geometry & MOs

Info

ID:	282085
PubChem CID:	103915555
Reduced:	O2F3N4C9H13 (1)
Stoich.:	A2B3C4D9E13 (1)
Weight, g/mol:	333.045805
ΔH_f, kcal/mol:	-202.01
Dipole, Da:	1.24
IP(EA), eV:	-10.42(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(difluoromethylsulfanylmethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N(CCO)CC(F)(F)F)N1C=NC=N1

DOS

IR

Vibrations