Geometry & MOs

Info

ID:	332366
PubChem CID:	127250652
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	438.14741
ΔH_f, kcal/mol:	-74.69
Dipole, Da:	7.09
IP(EA), eV:	-9.04(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-[6-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]morpholin-2-yl]pyridin-3-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CN2CCOC(C2)C3=NC=C(C=C3)C4=CN=C(C=C4)C(=O)NC

DOS

IR

Vibrations