Geometry & MOs

Info

ID:	345833
PubChem CID:	127270133
Reduced:	SN3O3C20H33 (1)
Stoich.:	AB3C3D20E33 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	-172.83
Dipole, Da:	2.82
IP(EA), eV:	-8.87(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]-1,3-benzodioxole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCCCC1C(=O)NC2CCC(CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations