Geometry & MOs

Info

ID:	187357
PubChem CID:	77562852
Reduced:	OF2N5H11C15 (1)
Stoich.:	AB2C5D11E15 (1)
Weight, g/mol:	543.213613
ΔH_f, kcal/mol:	-0.1
Dipole, Da:	7.93
IP(EA), eV:	-9.46(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[[4-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamoyl]benzoyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C2=C(C3=NC=NC(=O)C3N2CCN)C#N)F

DOS

IR

Vibrations