Geometry & MOs

Info

ID:	418449
PubChem CID:	135104874
Reduced:	ClO2N3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	370.119858
ΔH_f, kcal/mol:	-71.71
Dipole, Da:	3.74
IP(EA), eV:	-8.85(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@H]1C(=O)N2CCCN(CC2)C(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations