Geometry & MOs

Info

ID:	123914
PubChem CID:	50865297
Reduced:	FSO2N3C27H30 (1)
Stoich.:	ABC2D3E27F30 (1)
Weight, g/mol:	443.096746
ΔH_f, kcal/mol:	-60.78
Dipole, Da:	6.05
IP(EA), eV:	-8.13(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-N-(2,4-dichlorophenyl)-3-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(N(C2=C1C=C(C(=C2)F)/C=C/3\C(=O)N(C(=NC4=CC=CC=C4)S3)CCCOC)C)(C)C

DOS

IR

Vibrations