Geometry & MOs

Info

ID:	345822
PubChem CID:	127270122
Reduced:	SN3O3C20H33 (1)
Stoich.:	AB3C3D20E33 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-176.99
Dipole, Da:	3.81
IP(EA), eV:	-8.74(0.52)
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-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NCC(=O)NC2CCC(CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations