Geometry & MOs

Info

ID:	79398
PubChem CID:	49748463
Reduced:	FSO5N6H23C24 (1)
Stoich.:	ABC5D6E23F24 (1)
Weight, g/mol:	526.157386
ΔH_f, kcal/mol:	-170.81
Dipole, Da:	3.38
IP(EA), eV:	-8.61(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC4=C(CCCN4S(=O)(=O)C5=CC=C(C=C5)F)C=C3

DOS

IR

Vibrations