Geometry & MOs

Info

ID:	332370
PubChem CID:	127250656
Reduced:	O4N5C22H27 (1)
Stoich.:	A4B5C22D27 (1)
Weight, g/mol:	437.152161
ΔH_f, kcal/mol:	-97.39
Dipole, Da:	3.37
IP(EA), eV:	-9.16(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]pyridin-3-yl]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=NC=C(C=C1)C2=CN=C(C=C2)C3CN(CCO3)C(=O)CN4CCOCC4

DOS

IR

Vibrations