Geometry & MOs

Info

ID:	345874
PubChem CID:	127270174
Reduced:	SO3N4C17H24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-104.1
Dipole, Da:	5.59
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C=CC(=N1)C(=O)NC2CCC(CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations