Geometry & MOs

Info

ID:	229408
PubChem CID:	87567567
Reduced:	O2C8H15 (2)
Stoich.:	A2B8C15 (2)
Weight, g/mol:	465.128919
ΔH_f, kcal/mol:	-238.0
Dipole, Da:	6.33
IP(EA), eV:	-10.68(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]imidazol-1-yl]acetic acid;hydrochloride

Drug info:

PubChemData

Smile

CCC(CC)CC(C)(CCCCC(C)C(=O)O)C(=O)O

DOS

IR

Vibrations