Geometry & MOs

Info

ID:	140082
PubChem CID:	52643221
Reduced:	SF2N2O2H16C19 (1)
Stoich.:	AB2C2D2E16F19 (1)
Weight, g/mol:	358.095141
ΔH_f, kcal/mol:	-95.03
Dipole, Da:	7.98
IP(EA), eV:	-9.33(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)SC(F)F

DOS

IR

Vibrations