Geometry & MOs

Info

ID:	415274
PubChem CID:	135088266
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	302.126657
ΔH_f, kcal/mol:	-65.53
Dipole, Da:	4.48
IP(EA), eV:	-9.16(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-hydroxy-1-(2-indol-1-ylacetyl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1COCC2=C1NN=C2C(=O)N3CCC4(CC3)C5=C(CCO4)SC=C5

DOS

IR

Vibrations