Geometry & MOs

Info

ID:	284285
PubChem CID:	104040006
Reduced:	SN2O3C14H24 (1)
Stoich.:	AB2C3D14E24 (1)
Weight, g/mol:	302.166414
ΔH_f, kcal/mol:	-153.26
Dipole, Da:	4.89
IP(EA), eV:	-8.58(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CN(CCS1)CC(=O)N2CCC(CC2)C(=O)O)C

DOS

IR

Vibrations