Geometry & MOs

Info

ID:	331688
PubChem CID:	127249771
Reduced:	ON3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	444.230745
ΔH_f, kcal/mol:	-0.05
Dipole, Da:	5.32
IP(EA), eV:	-8.59(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pyridin-2-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CCC(=O)N2CCOC(C2)C3=NC(=CC=C3)NC4=CC=CC=N4

DOS

IR

Vibrations