Geometry & MOs

Info

ID:	361813
PubChem CID:	127304719
Reduced:	SN2O4C16H28 (1)
Stoich.:	AB2C4D16E28 (1)
Weight, g/mol:	330.161329
ΔH_f, kcal/mol:	-205.71
Dipole, Da:	5.43
IP(EA), eV:	-9.56(0.6)
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]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CCCC(C1)C(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations