Geometry & MOs

Info

ID:	369312
PubChem CID:	127332313
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	281.119798
ΔH_f, kcal/mol:	-113.61
Dipole, Da:	11.96
IP(EA), eV:	-9.26(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=O)C=C(N1)C2=CC=C(C=C2)NC(=O)NCC3CCCOC3C(C)(C)C

DOS

IR

Vibrations