Geometry & MOs

Info

ID:	331673
PubChem CID:	127249756
Reduced:	FO2N6C21H23 (1)
Stoich.:	AB2C6D21E23 (1)
Weight, g/mol:	446.152495
ΔH_f, kcal/mol:	-28.33
Dipole, Da:	2.06
IP(EA), eV:	-8.81(-0.64)
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-6-ylmethanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1)CCC(=O)N2CCOC(C2)C3=NC(=CC=C3)NC4=NC=C(C=C4)F

DOS

IR

Vibrations