Geometry & MOs

Info

ID:	123701
PubChem CID:	50859563
Reduced:	FOSN3C24H26 (1)
Stoich.:	ABCD3E24F26 (1)
Weight, g/mol:	445.112396
ΔH_f, kcal/mol:	-29.46
Dipole, Da:	3.47
IP(EA), eV:	-8.05(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-N-(3,4-dichlorophenyl)-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=CC=C4C)C)(C)C

DOS

IR

Vibrations