Geometry & MOs

Info

ID:

169076

PubChem CID:

75060579

Reduced:

ClN2O17C36H47 (1)

Stoich.:

AB2C17D36E47 (1)

Weight, g/mol:

1066.492122

ΔHf, kcal/mol:

-582.46

Dipole, Da:

9.81

IP(EA), eV:

 -9.61(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N,6-N-bis[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]naphthalene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)CC(C(=O)O)OC(=O)CCCCCO[N+](=O)[O-])OC(=O)CCCO[N+](=O)[O-])C)O)Cl)C

DOS

IR

Vibrations