Geometry & MOs

Info

ID:	69311
PubChem CID:	46530639
Reduced:	SF2N2O7C21H24 (1)
Stoich.:	AB2C2D7E21F24 (1)
Weight, g/mol:	363.128214
ΔH_f, kcal/mol:	-350.72
Dipole, Da:	3.79
IP(EA), eV:	-8.46(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C(CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2OC)OC(F)F

DOS

IR

Vibrations