Geometry & MOs

Info

ID:	153828
PubChem CID:	56313146
Reduced:	FSO2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	393.155178
ΔH_f, kcal/mol:	-50.81
Dipole, Da:	5.21
IP(EA), eV:	-9.07(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[2-(2-fluorophenyl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)NCC(C)(C)C3=CC=CC=C3F

DOS

IR

Vibrations