Geometry & MOs

Info

ID:	416955
PubChem CID:	135090901
Reduced:	N7O7C36H55 (1)
Stoich.:	A7B7C36D55 (1)
Weight, g/mol:	355.145344
ΔH_f, kcal/mol:	-216.77
Dipole, Da:	9.34
IP(EA), eV:	-8.53(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2(CCCCC2)N3CCOCC3)C)CC4=CC=CC=C4

DOS

IR

Vibrations