Geometry & MOs

Info

ID:	419885
PubChem CID:	135109582
Reduced:	SN3O3C25H35 (1)
Stoich.:	AB3C3D25E35 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-128.12
Dipole, Da:	4.91
IP(EA), eV:	-8.42(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-1-[2-(tert-butylamino)-2-oxoethyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)C(=O)CN3C4=CC=CC=C4N=C3SC5CCCCC5)O

DOS

IR

Vibrations