Geometry & MOs

Info

ID:	123718
PubChem CID:	50859580
Reduced:	FSO2N3C24H26 (1)
Stoich.:	ABC2D3E24F26 (1)
Weight, g/mol:	405.221641
ΔH_f, kcal/mol:	-58.5
Dipole, Da:	2.16
IP(EA), eV:	-8.08(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)F)/C=C/3\C(=O)N=C(S3)NC4=CC=C(C=C4)OC)C)(C)C

DOS

IR

Vibrations