Geometry & MOs

Info

ID:	361807
PubChem CID:	127304713
Reduced:	NSO3C14H25 (1)
Stoich.:	ABC3D14E25 (1)
Weight, g/mol:	293.108565
ΔH_f, kcal/mol:	-164.44
Dipole, Da:	3.44
IP(EA), eV:	-9.91(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1H-inden-5-yl-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CCCCC1CC(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations