Geometry & MOs

Info

ID:

237730

PubChem CID:

92721108

Reduced:

SO2N4H16C19 (1)

Stoich.:

AB2C4D16E19 (1)

Weight, g/mol:

463.196802

ΔHf, kcal/mol:

3.45

Dipole, Da:

6.81

IP(EA), eV:

 -8.54(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9R)-9-(5-tert-butyl-2-methyl-4-nitropyrazol-3-yl)-12,14-dimethyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione

Drug info:

PubChemData

Smile

CN1C2=C3[C@@H](NC4=CC=CC=C4N3C=C2C(=O)N(C1=O)C)C5=CC=CS5

DOS

IR

Vibrations