Geometry & MOs

Info

ID:	308151
PubChem CID:	125317160
Reduced:	NPO10C42H80 (1)
Stoich.:	ABC10D42E80 (1)
Weight, g/mol:	262.088832
ΔH_f, kcal/mol:	-651.08
Dipole, Da:	3.69
IP(EA), eV:	-9.64(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](C(=O)O)N)OC(=O)CCCCCCC/C=C/CCCCCCCC

DOS

IR

Vibrations