Geometry & MOs

Info

ID:	141462
PubChem CID:	52880319
Reduced:	ClOSN5H16C18 (1)
Stoich.:	ABCD5E16F18 (1)
Weight, g/mol:	385.076409
ΔH_f, kcal/mol:	107.75
Dipole, Da:	5.36
IP(EA), eV:	-9.01(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-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[C@H](ONC(=N1)C2=CC=CC=C2)CSC3=NN=CN3C4=CC(=CC=C4)Cl

DOS

IR

Vibrations