Geometry & MOs

Info

ID:	229610
PubChem CID:	87568154
Reduced:	NOC13H25 (1)
Stoich.:	ABC13D25 (1)
Weight, g/mol:	435.137654
ΔH_f, kcal/mol:	-84.17
Dipole, Da:	3.94
IP(EA), eV:	-10.26(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(Z)-[1-[1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]tetrazol-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCC/C=C/C(=O)N

DOS

IR

Vibrations