Geometry & MOs

Info

ID:

187918

PubChem CID:

77643065

Reduced:

Cl2F3N3O6C34H36 (1)

Stoich.:

A2B3C3D6E34F36 (1)

Weight, g/mol:

507.236936

ΔHf, kcal/mol:

-390.4

Dipole, Da:

6.38

IP(EA), eV:

 -9.18(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-(2-methoxyethoxy)-2-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1(CCCCC1)C(C(=O)O)NC(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)OC)NC(=O)NC4=C(C=C(C=C4Cl)OC(F)(F)F)Cl

DOS

IR

Vibrations