Geometry & MOs

Info

ID:	420573
PubChem CID:	135114029
Reduced:	SO5N8C36H50 (1)
Stoich.:	AB5C8D36E50 (1)
Weight, g/mol:	299.082744
ΔH_f, kcal/mol:	-131.66
Dipole, Da:	8.54
IP(EA), eV:	-9.23(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-hydroxy-1-(2-methylphenyl)sulfonylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN2CC(=O)N[C@H](CN(CC(=O)N[C@H](C3=NC(=CS3)C(=O)N[C@H](C2=N1)CC4=CC=CC=C4)CC(C)C)C(=O)C5(CCC5)COC)C(C)C

DOS

IR

Vibrations