Geometry & MOs

Info

ID:

298863

PubChem CID:

117661946

Reduced:

O3N5C21H24 (2)

Stoich.:

A3B5C21D24 (2)

Weight, g/mol:

717.327482

ΔHf, kcal/mol:

-159.84

Dipole, Da:

8.0

IP(EA), eV:

 -8.81(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[5-[4-[5-[[(2R)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]-1H-indol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC4=C(C=C3)N5C=NC6=C(C5=C4)C=CC(=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)O

DOS

IR

Vibrations