Geometry & MOs

Info

ID:	229435
PubChem CID:	87567640
Reduced:	NOS2C6H9 (1)
Stoich.:	ABC2D6E9 (1)
Weight, g/mol:	471.199191
ΔH_f, kcal/mol:	-42.02
Dipole, Da:	2.71
IP(EA), eV:	-8.98(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]pyrazol-1-yl]pentanoic acid

Drug info:

PubChemData

Smile

C1CNC(=O)C12SCCS2

DOS

IR

Vibrations