Geometry & MOs

Info

ID:	351847
PubChem CID:	127282247
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	242.054755
ΔH_f, kcal/mol:	-83.0
Dipole, Da:	3.21
IP(EA), eV:	-9.01(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,3-thiazol-5-yl)-(2-methylthiomorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)CNC(=O)C2C3=CC=CC=C3C(=O)N2C4CC4

DOS

IR

Vibrations