Geometry & MOs

Info

ID:

171001

PubChem CID:

75310626

Reduced:

NO4C22H27 (1)

Stoich.:

AB4C22D27 (1)

Weight, g/mol:

754.322731

ΔHf, kcal/mol:

-139.91

Dipole, Da:

4.63

IP(EA), eV:

 -8.76(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[2-[5-[4-[2-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CCCCC(=O)OC1=C2C3=C(CC4C5C3(CCN4C)C(O2)C(=O)CC5)C=C1

DOS

IR

Vibrations