Geometry & MOs

Info

ID:	134583
PubChem CID:	51717043
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	457.20871
ΔH_f, kcal/mol:	-104.22
Dipole, Da:	8.07
IP(EA), eV:	-9.01(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2R)-2-[1-(carboxylatomethyl)indol-3-yl]-2-[4-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperazin-1-ium-1-yl]acetate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)[C@H](C2=CN(C3=C2C=C(C=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations