Geometry & MOs

Info

ID:	369327
PubChem CID:	127332328
Reduced:	OS2N4C10H16 (1)
Stoich.:	AB2C4D10E16 (1)
Weight, g/mol:	230.145285
ΔH_f, kcal/mol:	-3.79
Dipole, Da:	6.13
IP(EA), eV:	-8.92(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-N-(2-methylpropyl)thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1C(SCCN1C(=O)NC2=NN=C(S2)C)C

DOS

IR

Vibrations