Geometry & MOs

Info

ID:	367556
PubChem CID:	127324924
Reduced:	SN3O3C17H31 (1)
Stoich.:	AB3C3D17E31 (1)
Weight, g/mol:	387.198048
ΔH_f, kcal/mol:	-151.24
Dipole, Da:	3.82
IP(EA), eV:	-8.48(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[4-(4-methylcyclohexyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)CCN3CCCS3(=O)=O

DOS

IR

Vibrations