Geometry & MOs

Info

ID:

298860

PubChem CID:

117661886

Reduced:

Cl2N5H19C25 (1)

Stoich.:

A2B5C19D25 (1)

Weight, g/mol:

735.316917

ΔHf, kcal/mol:

148.19

Dipole, Da:

5.7

IP(EA), eV:

 -8.3(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[[2-[4-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indol-5-yl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid

Drug info:

PubChemData

Smile

C1=CC2=CC3=CC(=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2)C6=CC=NC=C6.Cl.Cl

DOS

IR

Vibrations