Geometry & MOs

Info

ID:	419575
PubChem CID:	135108438
Reduced:	ClO4N7C31H38 (1)
Stoich.:	AB4C7D31E38 (1)
Weight, g/mol:	303.057672
ΔH_f, kcal/mol:	-91.14
Dipole, Da:	4.93
IP(EA), eV:	-8.97(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(3-fluorophenyl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@H](CNC1)C(=O)N2CCCNC(=O)[C@@H](NC(=O)C3=CC(=C(C=C3)OCCCN4C=C(C2)N=N4)Cl)CC5=CC=CC=C5

DOS

IR

Vibrations