Geometry & MOs

Info

ID:	157118
PubChem CID:	56422157
Reduced:	SN2O5C18H24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	442.156243
ΔH_f, kcal/mol:	-189.8
Dipole, Da:	3.62
IP(EA), eV:	-8.85(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2OCCO2)C(=O)C3=CC(=CC=C3)N4CCCS4(=O)=O

DOS

IR

Vibrations