Geometry & MOs

Info

ID:

51811

PubChem CID:

12014561

Reduced:

BrN2O3H13C16 (2)

Stoich.:

AB2C3D13E16 (2)

Weight, g/mol:

632.12294

ΔHf, kcal/mol:

-59.08

Dipole, Da:

6.99

IP(EA), eV:

 -8.98(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,10'bR)-3-(4-chloroanilino)-3'-(4-chlorophenyl)-6,9'-dimethoxy-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=C(C=CC(=C4)OC)OC(=O)N3NC5=CC=C(C=C5)Br)N(N1C(=O)OC6=C2C=C(C=C6)OC)C7=CC=C(C=C7)Br

DOS

IR

Vibrations