Geometry & MOs

Info

ID:	416275
PubChem CID:	135089287
Reduced:	O5N6C35H48 (1)
Stoich.:	A5B6C35D48 (1)
Weight, g/mol:	369.124609
ΔH_f, kcal/mol:	-164.36
Dipole, Da:	6.63
IP(EA), eV:	-8.59(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC3=CC=CC=C3OCCCCN4C=CN=C4

DOS

IR

Vibrations