Geometry & MOs

Info

ID:	320511
PubChem CID:	126661530
Reduced:	O3S3N4C20H22 (1)
Stoich.:	A3B3C4D20E22 (1)
Weight, g/mol:	345.134049
ΔH_f, kcal/mol:	-29.19
Dipole, Da:	7.01
IP(EA), eV:	-8.72(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4,5-difluoro-3-(4-fluorophenyl)-2-methylphenyl]-2-methyl-N-prop-2-enylprop-2-enamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CSC(=N3)C4=CC=CS4

DOS

IR

Vibrations