Geometry & MOs

Info

ID:	415884
PubChem CID:	135088886
Reduced:	N4O7C30H30 (1)
Stoich.:	A4B7C30D30 (1)
Weight, g/mol:	349.038686
ΔH_f, kcal/mol:	-212.26
Dipole, Da:	4.39
IP(EA), eV:	-9.01(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)C(=O)C5=CC6=C(CCC6)NC5=O

DOS

IR

Vibrations