Geometry & MOs

Info

ID:

181471

PubChem CID:

76747744

Reduced:

NOC8H11 (2)

Stoich.:

ABC8D11 (2)

Weight, g/mol:

761.36493

ΔHf, kcal/mol:

-65.21

Dipole, Da:

4.72

IP(EA), eV:

 -9.55(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[2-[5-[4-[7-[2-[1-[2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate

Drug info:

PubChemData

Smile

CC(C)CC(=O)C1=CC=C(C=C1)CCC2COC(=N2)N

DOS

IR

Vibrations