Geometry & MOs

Info

ID:	420810
PubChem CID:	135114866
Reduced:	N5O7C38H45 (1)
Stoich.:	A5B7C38D45 (1)
Weight, g/mol:	355.145344
ΔH_f, kcal/mol:	-244.27
Dipole, Da:	5.75
IP(EA), eV:	-9.22(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(3,5-dimethylphenyl)sulfonyl-4-hydroxy-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations