Geometry & MOs

Info

ID:

298868

PubChem CID:

117662013

Reduced:

O7N8C43H52 (1)

Stoich.:

A7B8C43D52 (1)

Weight, g/mol:

917.411212

ΔHf, kcal/mol:

-224.03

Dipole, Da:

1.54

IP(EA), eV:

 -8.77(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R)-2-[(2S)-2-[[4-[3-(2-methylphenyl)-5-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]-1H-indol-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC5=C(O4)C=CC(=C5)C6=CN=C(N6)[C@@H]7CCCN7C(=O)[C@H](CC(C)C)NC(=O)OC)NC(=O)O

DOS

IR

Vibrations