Geometry & MOs

Info

ID:

436055

PubChem CID:

135193587

Reduced:

F2N4O5C33H38 (1)

Stoich.:

A2B4C5D33E38 (1)

Weight, g/mol:

1003.471406

ΔHf, kcal/mol:

-267.96

Dipole, Da:

2.97

IP(EA), eV:

 -8.87(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[2-[2-[2-[2-[3-[[2-[[2-amino-4-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]-2-carboxyethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1CC(=O)N(C1=O)CC(=O)N(CCC(C(=O)O)N)C(C2=CC(=CN2CC3=CC=CC=C3)C4=C(C=CC(=C4)F)F)C(C)(C)C

DOS

IR

Vibrations