Geometry & MOs

Info

ID:	420373
PubChem CID:	135112793
Reduced:	O5N7C34H43 (1)
Stoich.:	A5B7C34D43 (1)
Weight, g/mol:	357.124609
ΔH_f, kcal/mol:	-155.32
Dipole, Da:	9.9
IP(EA), eV:	-9.21(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)NCCCN1C(=O)C2=C(NC(=N2)C3=CC=CC=C3)C)CC4=CC=CC=C4)C)C(C)C

DOS

IR

Vibrations