Geometry & MOs

Info

ID:	178132
PubChem CID:	76282202
Reduced:	FN2O2H13C18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	655.226469
ΔH_f, kcal/mol:	-32.4
Dipole, Da:	2.13
IP(EA), eV:	-8.6(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[3-fluoro-4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]sulfanylanilino]methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=CC3=C(NC=C3C4=C(C(=CC=C4)F)O)N=C2

DOS

IR

Vibrations