Geometry & MOs

Info

ID:	141463
PubChem CID:	52880320
Reduced:	ClOSN5H16C18 (1)
Stoich.:	ABCD5E16F18 (1)
Weight, g/mol:	399.092059
ΔH_f, kcal/mol:	108.38
Dipole, Da:	5.61
IP(EA), eV:	-9.01(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-[[4-(3-chloro-4-methylphenyl)-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