Geometry & MOs

Info

ID:	213507
PubChem CID:	81063932
Reduced:	F2N2O5C12H12 (1)
Stoich.:	A2B2C5D12E12 (1)
Weight, g/mol:	320.140593
ΔH_f, kcal/mol:	-213.12
Dipole, Da:	8.14
IP(EA), eV:	-10.49(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C(C=CC(=C1F)[N+](=O)[O-])F

DOS

IR

Vibrations