Geometry & MOs

Info

ID:

51814

PubChem CID:

12014565

Reduced:

BrN2O2H13C16 (2)

Stoich.:

AB2C2D13E16 (2)

Weight, g/mol:

600.133111

ΔHf, kcal/mol:

122.8

Dipole, Da:

6.15

IP(EA), eV:

 -9.07(-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',10'b-trimethylspiro[1,3-benzoxazine-4,2'-1H-pyrazolo[1,5-c][1,3]benzoxazine]-2,5'-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=O)N3[C@@]2(C[C@]4(N3C5=CC=C(C=C5)Br)C6=C(C=CC(=C6)C)OC(=O)N4NC7=CC=C(C=C7)Br)C

DOS

IR

Vibrations