Geometry & MOs

Info

ID:

51812

PubChem CID:

12014562

Reduced:

ClN2O3H13C16 (2)

Stoich.:

AB2C3D13E16 (2)

Weight, g/mol:

592.232185

ΔHf, kcal/mol:

-82.7

Dipole, Da:

6.67

IP(EA), eV:

 -8.95(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,10'bR)-6,9'-dimethoxy-10'b-methyl-3-(4-methylanilino)-3'-(4-methylphenyl)spiro[1,3-benzoxazine-4,2'-1H-pyrazolo[1,5-c][1,3]benzoxazine]-2,5'-dione

Drug info:

PubChemData

Smile

C[C@]12C[C@@]3(C4=C(C=CC(=C4)OC)OC(=O)N3NC5=CC=C(C=C5)Cl)N(N1C(=O)OC6=C2C=C(C=C6)OC)C7=CC=C(C=C7)Cl

DOS

IR

Vibrations