Geometry & MOs

Info

ID:	51817
PubChem CID:	12014568
Reduced:	N2O3H14C16 (2)
Stoich.:	A2B3C14D16 (2)
Weight, g/mol:	722.01986
ΔH_f, kcal/mol:	-70.45
Dipole, Da:	5.4
IP(EA), eV:	-8.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,10'bR)-3-(4-bromoanilino)-3'-(4-bromophenyl)-7,8'-dimethoxy-10'b-methylspiro[1,3-benzoxazine-4,2'-1H-pyrazolo[1,5-c][1,3]benzoxazine]-2,5'-dione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@]12C[C@@]3(C4=C(C=C(C=C4)OC)OC(=O)N3NC5=CC=CC=C5)N(N1C(=O)OC6=C2C=CC(=C6)OC)C7=CC=CC=C7

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@]12C[C@@]3(C4=C(C=C(C=C4)OC)OC(=O)N3NC5=CC=CC=C5)N(N1C(=O)OC6=C2C=CC(=C6)OC)C7=CC=CC=C7

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):