Geometry & MOs

Info

ID:

299516

PubChem CID:

117687165

Reduced:

N9O12C26H39 (1)

Stoich.:

A9B12C26D39 (1)

Weight, g/mol:

578.035159

ΔHf, kcal/mol:

-521.37

Dipole, Da:

2.02

IP(EA), eV:

 -10.16(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,2,3,4-tetrafluoro-6-methoxy-5-[5,6,7,8-tetrafluoro-2-methyl-3-(trifluoromethyl)naphthalen-1-yl]-7-(trifluoromethyl)naphthalene

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CN(N=N1)C)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C

DOS

IR

Vibrations