Geometry & MOs

Info

ID:

51813

PubChem CID:

12014563

Reduced:

N2O3H16C17 (2)

Stoich.:

A2B3C16D17 (2)

Weight, g/mol:

690.03003

ΔHf, kcal/mol:

-100.35

Dipole, Da:

7.66

IP(EA), eV:

 -8.47(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,10'bR)-3-(4-bromoanilino)-3'-(4-bromophenyl)-6,9',10'b-trimethylspiro[1,3-benzoxazine-4,2'-1H-pyrazolo[1,5-c][1,3]benzoxazine]-2,5'-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NN2C(=O)OC3=C([C@@]24C[C@@]5(C6=C(C=CC(=C6)OC)OC(=O)N5N4C7=CC=C(C=C7)C)C)C=C(C=C3)OC

DOS

IR

Vibrations