Geometry & MOs

Info

ID:	180092
PubChem CID:	76575696
Reduced:	SN2O3C11H17 (2)
Stoich.:	AB2C3D11E17 (2)
Weight, g/mol:	346.182733
ΔH_f, kcal/mol:	-179.76
Dipole, Da:	5.37
IP(EA), eV:	-8.6(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-oxo-4-(propan-2-ylamino)-11-thia-1,3-diazatetracyclo[8.7.0.02,7.012,17]heptadec-9-ene-9-carbonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)OCCNC(=O)C1=C2N(C3CCCCC3S2)C4C(C1=O)CCC(N4)N5CCOCC5

DOS

IR

Vibrations