Geometry & MOs

Info

ID:	128751
PubChem CID:	51057104
Reduced:	ClSN4O5C25H33 (1)
Stoich.:	ABC4D5E25F33 (1)
Weight, g/mol:	596.9449
ΔH_f, kcal/mol:	-137.15
Dipole, Da:	3.53
IP(EA), eV:	-8.45(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,9-dibromo-2-(4-bromophenyl)-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

Drug info:

PubChemData

Smile

CC(C)C(CCCNCCNC(=O)C1=C(C=C(C=C1)Cl)S(=O)(=O)N)(C#N)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations