Geometry & MOs

Info

ID:

192254

PubChem CID:

78250434

Reduced:

SN2O5H20C23 (1)

Stoich.:

AB2C5D20E23 (1)

Weight, g/mol:

487.204196

ΔHf, kcal/mol:

-54.83

Dipole, Da:

5.73

IP(EA), eV:

 -8.7(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[12-(2-methylphenyl)-11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,15-pentaene-9,1'-cyclohexane]-16-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

C1CC2C(CC1OCC3=CC=C(C=C3)[N+](=O)[O-])OC=C(C2=O)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations