Geometry & MOs

Info

ID:	141461
PubChem CID:	52880083
Reduced:	F3N3O3H10C14 (1)
Stoich.:	A3B3C3D10E14 (1)
Weight, g/mol:	385.076409
ΔH_f, kcal/mol:	-121.88
Dipole, Da:	8.1
IP(EA), eV:	-9.79(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)/C=C/C2=NC=CN2CC(F)(F)F

DOS

IR

Vibrations