Geometry & MOs

Info

ID:	141464
PubChem CID:	52880321
Reduced:	ClOSN5H18C19 (1)
Stoich.:	ABCD5E18F19 (1)
Weight, g/mol:	399.092059
ΔH_f, kcal/mol:	97.56
Dipole, Da:	5.9
IP(EA), eV:	-8.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-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

CC1=C(C=C(C=C1)N2C=NN=C2SC[C@@H]3CN=C(NO3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations