Geometry & MOs

Info

ID:	328614
PubChem CID:	126725964
Reduced:	N5O9H32C33 (2)
Stoich.:	A5B9C32D33 (2)
Weight, g/mol:	465.0437
ΔH_f, kcal/mol:	-543.58
Dipole, Da:	12.66
IP(EA), eV:	-8.26(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-iodo-7-nitro-9-propylfluoren-9-yl)acetate

Drug info:

Smile

C1=CC=C2C(=C1)C3=C(N2CC(=O)N(CC(=O)O)CC(=O)O)C=CC(=C3)C4=CC(=NC(=C4)CN(CC(=O)O)COC=O)CN(CCC5=CC=C(C=C5)N)CC6=NC(=CC(=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)CC(=O)N(COC=O)COC=O)CN(CC(=O)O)COC=O

DOS

IR

Vibrations