Geometry & MOs

Info

ID:

224174

PubChem CID:

85339182

Reduced:

FN2S2O9C50H57 (1)

Stoich.:

AB2C2D9E50F57 (1)

Weight, g/mol:

935.609577

ΔHf, kcal/mol:

-343.87

Dipole, Da:

6.44

IP(EA), eV:

 -7.94(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(dimethylamino)-N-[1-[2-[3-[[1-[6-(2,5-dioxopyrrol-1-yl)hexanoylhydrazinylidene]-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide

Drug info:

PubChemData

Smile

CC1(C(N(C2=C1C=C(C=C2)F)CCCCCC(=O)O)C=CC3=C(C(=CC=C4C(C5=C(N4CCCCS(=O)(=O)O)C=CC6=CC=CC=C65)(C)C)CCC3)OC7=CC=C(C=C7)S(=O)(=O)O)C

DOS

IR

Vibrations