Geometry & MOs

Info

ID:	229292
PubChem CID:	87567341
Reduced:	SO5C7H10 (1)
Stoich.:	AB5C7D10 (1)
Weight, g/mol:	480.139818
ΔH_f, kcal/mol:	-181.52
Dipole, Da:	3.48
IP(EA), eV:	-10.79(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]-2H-triazol-4-yl]propanoic acid;hydrochloride

Drug info:

PubChemData

Smile

C=CCOC(=O)C(=C)CS(=O)(=O)O

DOS

IR

Vibrations