Geometry & MOs

Info

ID:

128245

PubChem CID:

51036831

Reduced:

O3N5C34H39 (1)

Stoich.:

A3B5C34D39 (1)

Weight, g/mol:

687.338047

ΔHf, kcal/mol:

-48.52

Dipole, Da:

7.61

IP(EA), eV:

 -8.72(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[[(3S)-1-[(2R)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-3-carbonyl]amino]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C=CCCC(=O)N1CC[C@@H](C1)C(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)C4=CN=C(N4)[C@@H]5CCCN5C(=O)CCC=C

DOS

IR

Vibrations