Geometry & MOs

Info

ID:	308152
PubChem CID:	125317164
Reduced:	OSN4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	262.088832
ΔH_f, kcal/mol:	35.29
Dipole, Da:	3.61
IP(EA), eV:	-8.81(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[(2S)-2,3-dihydrothiophen-2-yl]-3-(1H-1,2,4-triazol-5-ylamino)cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C1C=CS[C@H]1[C@H]2CC(=CC(=O)C2)NC3=NC=NN3

DOS

IR

Vibrations