Geometry & MOs

Info

ID:	123948
PubChem CID:	50867315
Reduced:	FOSN3C26H28 (1)
Stoich.:	ABCD3E26F28 (1)
Weight, g/mol:	417.221641
ΔH_f, kcal/mol:	-32.52
Dipole, Da:	8.95
IP(EA), eV:	-8.2(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)-N-(2-ethylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)F)/C=C/3\C(=O)N=C(S3)NC4=CC(=CC(=C4)C)C)C(=CC1(C)C)C

DOS

IR

Vibrations