Geometry & MOs

Info

ID:

441803

PubChem CID:

135245003

Reduced:

S2Cl3O3N4C39H45 (1)

Stoich.:

A2B3C3D4E39F45 (1)

Weight, g/mol:

892.358745

ΔHf, kcal/mol:

-44.26

Dipole, Da:

5.11

IP(EA), eV:

 -8.32(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (E)-3-[4-[4-[2-[2-[2-[2-[[(2R,3R)-2,3-dihydroxy-4-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylsulfamoyl]phenoxy]-3,5-difluorophenyl]-2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC2=C(CN(CC2C3=CC=C(C=C3)SNCCOCCOCCNS(=O)C4=CC=C(C=C4)C5CN(CC6=C5C=C(C=C6Cl)Cl)C)C)C(=C1)Cl

DOS

IR

Vibrations