Geometry & MOs

Info

ID:	361766
PubChem CID:	127304613
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	351.150429
ΔH_f, kcal/mol:	-95.03
Dipole, Da:	6.85
IP(EA), eV:	-8.96(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-[4-(2-methylphenyl)oxan-4-yl]methanone

Drug info:

PubChemData

Smile

CCOC1=CN(N=C1C(=O)N2CCCS(=O)(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations