Geometry & MOs

Info

ID:	30268
PubChem CID:	841062
Reduced:	NOSC14H15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	193.09636
ΔH_f, kcal/mol:	-16.51
Dipole, Da:	3.58
IP(EA), eV:	-8.44(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-5-phenyl-1,3,3a,4,6,6a-hexahydrotriazolo[4,5-c][1,2,5]oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(S2)C)C

DOS

IR

Vibrations