Geometry & MOs

Info

ID:	36502
PubChem CID:	8007703
Reduced:	S2O3N4C16H20 (1)
Stoich.:	A2B3C4D16E20 (1)
Weight, g/mol:	412.119876
ΔH_f, kcal/mol:	-55.72
Dipole, Da:	5.38
IP(EA), eV:	-8.53(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,10bS)-2-(4-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

Drug info:

PubChemData

Smile

CCCC(=O)NC1=NN=C(S1)SCC(=O)NC2=CC=CC=C2OCC

DOS

IR

Vibrations