Geometry & MOs

Info

ID:

180380

PubChem CID:

76624558

Reduced:

N2F3O13C43H47 (1)

Stoich.:

A2B3C13D43E47 (1)

Weight, g/mol:

754.380246

ΔHf, kcal/mol:

-535.91

Dipole, Da:

12.49

IP(EA), eV:

 -8.98(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[4-[4-[2-[3-hydroxy-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)OCC2=CC=C(C=C2)CO[N+](=O)[O-])OC(=O)CNC(=O)CCCC=CCC3C(CC(C3C=CC(COC4=CC=CC(=C4)C(F)(F)F)O)O)O

DOS

IR

Vibrations