Geometry & MOs

Info

ID:	369241
PubChem CID:	127331592
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	236.098334
ΔH_f, kcal/mol:	-102.8
Dipole, Da:	3.72
IP(EA), eV:	-8.67(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethylthiomorpholin-4-yl)-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1C(SCCN1C(=O)CN2C(=O)C=CN(C2=O)CC3=CC=CC=C3)C

DOS

IR

Vibrations