Geometry & MOs

Info

ID:

179145

PubChem CID:

76441137

Reduced:

F2O17N26C64H96 (1)

Stoich.:

A2B17C26D64E96 (1)

Weight, g/mol:

434.220557

ΔHf, kcal/mol:

-674.24

Dipole, Da:

11.15

IP(EA), eV:

 -9.14(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CN=CN2)C(=O)NC(CC3=CN=CN3)C(=O)O)NC(=O)C(CC4=CN=CN4)NC(=O)C(CC(=O)O)NC(=O)C(CC5=CN=CN5)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCCCNF)NF

DOS

IR

Vibrations