Geometry & MOs

Info

ID:	228586
PubChem CID:	87565354
Reduced:	O9C16H32 (1)
Stoich.:	A9B16C32 (1)
Weight, g/mol:	480.139818
ΔH_f, kcal/mol:	-430.96
Dipole, Da:	3.11
IP(EA), eV:	-9.98(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[(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(C(C(=O)O)O)C(=O)O.C(CCOCCCCO)CO

DOS

IR

Vibrations