Geometry & MOs

Info

ID:	351891
PubChem CID:	127282809
Reduced:	FO2N4C21H31 (1)
Stoich.:	AB2C4D21E31 (1)
Weight, g/mol:	267.104148
ΔH_f, kcal/mol:	-134.49
Dipole, Da:	5.7
IP(EA), eV:	-9.22(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(1-methyl-6-oxopyridin-3-yl)thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)NCCC3=CC=C(C=C3)F

DOS

IR

Vibrations