Geometry & MOs

Info

ID:

232122

PubChem CID:

87575563

Reduced:

SO4C36H42 (1)

Stoich.:

AB4C36D42 (1)

Weight, g/mol:

987.433798

ΔHf, kcal/mol:

-81.86

Dipole, Da:

3.89

IP(EA), eV:

 -8.36(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[4-(methylamino)benzoyl]amino]-5-[2-[2-[2-[2-[2-[2-[[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[1,2-c]pyrazol-3-yl]phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)/C=C/C2=CC=C(C=C2)C=O)OCCCCCCCCCCCS)/C=C/C3=CC=C(C=C3)C=O

DOS

IR

Vibrations