Geometry & MOs

Info

ID:	228572
PubChem CID:	87565321
Reduced:	SO3N4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	853.398539
ΔH_f, kcal/mol:	-60.3
Dipole, Da:	2.21
IP(EA), eV:	-8.79(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-[3-(dibenzylamino)propyl]-4-[N-(phenylcarbamothioyl)anilino]piperidine-1-carboxylic acid;4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=CN(N=N2)CC(=O)OC

DOS

IR

Vibrations