Geometry & MOs

Info

ID:

222130

PubChem CID:

85294575

Reduced:

N2O16H30C43 (1)

Stoich.:

A2B16C30D43 (1)

Weight, g/mol:

834.267465

ΔHf, kcal/mol:

-379.85

Dipole, Da:

10.41

IP(EA), eV:

 -8.06(-3.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(benzenesulfonylhydrazinylidene)-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;3-(2-diphenylphosphanyl-4,6-dimethylphenyl)-2-methylquinazolin-4-one

Drug info:

PubChemData

Smile

C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=O)C(=O)C3=C4C(=CC5=C(C4=O)NC6=CC=CC=C6N5)C7C(CC8=C(C=C(C=C8O7)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O)O

DOS

IR

Vibrations