Geometry & MOs

Info

ID:	369325
PubChem CID:	127332326
Reduced:	OS2N3C11H17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	294.103814
ΔH_f, kcal/mol:	-23.47
Dipole, Da:	4.5
IP(EA), eV:	-8.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2,3-dimethylthiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations