Geometry & MOs

Info

ID:	124001
PubChem CID:	50869364
Reduced:	FSO2N3C29H34 (1)
Stoich.:	ABC2D3E29F34 (1)
Weight, g/mol:	433.216555
ΔH_f, kcal/mol:	-72.01
Dipole, Da:	4.59
IP(EA), eV:	-8.07(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-(4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)F)/C=C/3\C(=O)N(C(=NC4=CC=CC=C4)S3)CCCOC)C(=CC1(C)C)C

DOS

IR

Vibrations