Geometry & MOs

Info

ID:

175387

PubChem CID:

75896574

Reduced:

OSN2C11H18 (2)

Stoich.:

ABC2D11E18 (2)

Weight, g/mol:

465.235794

ΔHf, kcal/mol:

-74.57

Dipole, Da:

6.22

IP(EA), eV:

 -8.45(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

diethyl-[2-[2-methylpropyl-[3-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-trien-10-yl)methylsulfanyl]propanoyl]amino]ethyl]azanium

Drug info:

PubChemData

Smile

CCN(CC)CCN(CC(C)C)C(=O)C(C)SCC1=NC(=O)C2C(=C(SC2=N1)C)C

DOS

IR

Vibrations