Geometry & MOs

Info

ID:	368752
PubChem CID:	127330003
Reduced:	SO2N4C17H28 (1)
Stoich.:	AB2C4D17E28 (1)
Weight, g/mol:	288.133006
ΔH_f, kcal/mol:	-67.17
Dipole, Da:	4.46
IP(EA), eV:	-8.47(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfanylcyclohexyl)-1,4-thiazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)NC3CCCC(C3)SC

DOS

IR

Vibrations