Geometry & MOs

Info

ID:

51815

PubChem CID:

12014566

Reduced:

ClN2O2H13C16 (2)

Stoich.:

AB2C2D13E16 (2)

Weight, g/mol:

560.242356

ΔHf, kcal/mol:

99.11

Dipole, Da:

7.15

IP(EA), eV:

 -8.99(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,10'bR)-6,9',10'b-trimethyl-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

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

DOS

IR

Vibrations