Geometry & MOs

Info

ID:	308940
PubChem CID:	126532272
Reduced:	ON3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	492.200885
ΔH_f, kcal/mol:	36.24
Dipole, Da:	5.54
IP(EA), eV:	-9.14(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-diazonio-6-ethoxy-5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-6-oxohex-1-en-2-olate

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N(C2=CN=CC=C2)C3=CN=CC=C3

DOS

IR

Vibrations