Geometry & MOs

Info

ID:	369313
PubChem CID:	127332314
Reduced:	SO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	255.104148
ΔH_f, kcal/mol:	-76.26
Dipole, Da:	4.75
IP(EA), eV:	-8.49(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1C(SCCN1C(=O)NC2=CN(C(=O)C=C2)C)C

DOS

IR

Vibrations