Geometry & MOs

Info

ID:	361790
PubChem CID:	127304637
Reduced:	SN2O4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	388.112664
ΔH_f, kcal/mol:	-168.31
Dipole, Da:	5.83
IP(EA), eV:	-9.16(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,1-dioxo-1,4-thiazepan-4-yl)-3-oxopropyl]-2,5-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCC(C)C1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations