Geometry & MOs

Info

ID:	361805
PubChem CID:	127304711
Reduced:	ClN2S2O5C14H19 (1)
Stoich.:	AB2C2D5E14F19 (1)
Weight, g/mol:	308.119464
ΔH_f, kcal/mol:	-194.25
Dipole, Da:	9.78
IP(EA), eV:	-10.03(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydroindol-1-yl)-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations