Geometry & MOs

Info

ID:	228731
PubChem CID:	87565632
Reduced:	FO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	471.162806
ΔH_f, kcal/mol:	-73.69
Dipole, Da:	4.47
IP(EA), eV:	-9.04(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-ylidene]methyl]pyrazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCCC(C1)OC2=CC(=CC(=C2)CNC(=O)NC3=CN=C(C=C3)C#C)F

DOS

IR

Vibrations