Geometry & MOs

Info

ID:	133001
PubChem CID:	51460314
Reduced:	SO2N5C22H35 (1)
Stoich.:	AB2C5D22E35 (1)
Weight, g/mol:	483.96089
ΔH_f, kcal/mol:	-90.22
Dipole, Da:	3.94
IP(EA), eV:	-8.57(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,10bS)-7,9-dibromo-2,5-diphenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

Drug info:

PubChemData

Smile

CCCN1C(=O)C2CCCCC2N3C1=NN=C3S[C@H](C)C(=O)NC4CCCC(C4)C

DOS

IR

Vibrations