Geometry & MOs

Info

ID:	331662
PubChem CID:	127249745
Reduced:	FON6C20H21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	446.152495
ΔH_f, kcal/mol:	6.83
Dipole, Da:	2.49
IP(EA), eV:	-8.72(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pyridin-2-yl]morpholin-4-yl]-quinolin-5-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCOC(C2)C3=NC(=CC=C3)NC4=NC=C(C=C4)F)C

DOS

IR

Vibrations