Geometry & MOs

Info

ID:	140971
PubChem CID:	52792437
Reduced:	SN3O4C23H31 (1)
Stoich.:	AB3C4D23E31 (1)
Weight, g/mol:	359.293663
ΔH_f, kcal/mol:	-138.31
Dipole, Da:	12.57
IP(EA), eV:	-8.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[(2S)-1-[(1-benzylpiperidin-1-ium-4-yl)amino]-1-oxopropan-2-yl]-(cyclopentylmethyl)-methylazanium

Drug info:

PubChemData

Smile

CCCN(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3C[C@H](O[C@@H](C3)C)C

DOS

IR

Vibrations