Geometry & MOs

Info

ID:	360928
PubChem CID:	127301759
Reduced:	SN3O4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	386.097014
ΔH_f, kcal/mol:	-87.92
Dipole, Da:	9.74
IP(EA), eV:	-9.01(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone

Drug info:

PubChemData

Smile

COC1=CN(N=C1C(=O)N2CCCS(=O)(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations