Geometry & MOs

Info

ID:

181944

PubChem CID:

76817254

Reduced:

N3O5C28H37 (1)

Stoich.:

A3B5C28D37 (1)

Weight, g/mol:

912.551334

ΔHf, kcal/mol:

-179.6

Dipole, Da:

7.26

IP(EA), eV:

 -9.19(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[6-methyl-5-[2-[[1-[6-[3-[[1-[3-methyl-2-(2-methylpropanoylamino)butanoyl]pyrrolidin-2-yl]methyl]indol-1-yl]hexa-2,4-diynyl]indol-3-yl]methyl]pyrrolidine-1-carbonyl]-3-oxoheptan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)C3NC(C(C(=O)N3)CC)CC

DOS

IR

Vibrations