Geometry & MOs

Info

ID:	345868
PubChem CID:	127270168
Reduced:	SN3O4C19H31 (1)
Stoich.:	AB3C4D19E31 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	-203.76
Dipole, Da:	1.71
IP(EA), eV:	-8.81(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)CCC(=O)N3CCOCC3

DOS

IR

Vibrations