Geometry & MOs

Info

ID:

163820

PubChem CID:

74380502

Reduced:

N2O9C45H90 (1)

Stoich.:

A2B9C45D90 (1)

Weight, g/mol:

878.371813

ΔHf, kcal/mol:

-568.43

Dipole, Da:

4.89

IP(EA), eV:

 -8.43(0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-cyclohexyl-4-[[3,3-dimethyl-1-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-4-oxobutanoyl]-5-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCN(CCCCC)CCCCC)O)O

DOS

IR

Vibrations