Geometry & MOs

Info

ID:

426120

PubChem CID:

135140727

Reduced:

F2N9O13C62H83 (1)

Stoich.:

A2B9C13D62E83 (1)

Weight, g/mol:

1214.628635

ΔHf, kcal/mol:

-601.37

Dipole, Da:

6.37

IP(EA), eV:

 -8.85(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[3-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]propylamino]-1-oxopropan-2-yl]-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)N(CCCNC(=O)OC(C)(C)C)C(C2=NC(=CN2CC3=CC=CC=C3)C4=C(C=CC(=C4)F)F)C(C)(C)C)NC(=O)C(C(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN5C(=O)C=CC5=O

DOS

IR

Vibrations