Geometry & MOs

Info

ID:

431533

PubChem CID:

135171621

Reduced:

ClNO2H14C15 (1)

Stoich.:

ABC2D14E15 (1)

Weight, g/mol:

943.299296

ΔHf, kcal/mol:

-45.3

Dipole, Da:

3.65

IP(EA), eV:

 -9.32(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[3-acetyl-5-[[3-[2-[3-acetyl-5-(methanesulfonamido)-6-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]oxy-3-methylbutyl]sulfonylamino]-6-(pyrimidine-5-carbonylamino)indol-1-yl]acetate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=CC=CC(=C2)COC(=O)Cl)CN

DOS

IR

Vibrations