Geometry & MOs

Info

ID:	229001
PubChem CID:	87566754
Reduced:	O9C12H22 (1)
Stoich.:	A9B12C22 (1)
Weight, g/mol:	480.139818
ΔH_f, kcal/mol:	-423.4
Dipole, Da:	7.92
IP(EA), eV:	-10.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC(CC(=O)O)(CC(=O)O)C(=O)O.C(CO)O

DOS

IR

Vibrations