Geometry & MOs

Info

ID:	376062
PubChem CID:	134222064
Reduced:	SCl2F3O3N4H25C26 (1)
Stoich.:	AB2C3D3E4F25G26 (1)
Weight, g/mol:	439.082988
ΔH_f, kcal/mol:	-222.25
Dipole, Da:	7.18
IP(EA), eV:	-8.39(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminoethenylamino)-5-[(E)-3-(3,4-dichloro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]-3-methylbenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Cl)C(/C=C/C2=CC(=C(C=C2)CNC(=O)CCS(=O)C)Cl)C(F)(F)F)N3C=CC(=NC3=O)N

DOS

IR

Vibrations