Geometry & MOs

Info

ID:	131030
PubChem CID:	51147362
Reduced:	N2S2O3C12H18 (1)
Stoich.:	A2B2C3D12E18 (1)
Weight, g/mol:	387.114044
ΔH_f, kcal/mol:	-102.05
Dipole, Da:	6.86
IP(EA), eV:	-9.42(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CCNS(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations