Geometry & MOs

Info

ID:	448150
PubChem CID:	135288846
Reduced:	ClN2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	622.266559
ΔH_f, kcal/mol:	-26.02
Dipole, Da:	2.37
IP(EA), eV:	-8.47(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-2-hydroxy-6-oxo-6-propan-2-yloxyhex-1-ene-1-diazonium

Drug info:

PubChemData

Smile

C1CCC(CC1)C(CC2=CNC3=CC=CC=C32)N.Cl

DOS

IR

Vibrations