Geometry & MOs

Info

ID:

51807

PubChem CID:

12014556

Reduced:

N4O6H10C15 (2)

Stoich.:

A4B6C10D15 (2)

Weight, g/mol:

572.101811

ΔHf, kcal/mol:

-4.68

Dipole, Da:

13.88

IP(EA), eV:

 -10.11(-2.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,10'bR)-3-(4-chloroanilino)-3'-(4-chlorophenyl)-10'b-methylspiro[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=CC=CC=C4OC(=O)N3NC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])N(N1C(=O)OC6=CC=CC=C26)C7=C(C=C(C=C7)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations