Geometry & MOs

Info

ID:

6484

PubChem CID:

68732

Reduced:

O8N9C50H75 (1)

Stoich.:

A8B9C50D75 (1)

Weight, g/mol:

929.57386

ΔHf, kcal/mol:

-373.86

Dipole, Da:

5.85

IP(EA), eV:

 -8.99(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(2S)-1-[[(2S)-1-[[(4S,5S,7R)-5-hydroxy-2,8-dimethyl-7-[[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]nonan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@H](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)N(C)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)O)C(C)C

DOS

IR

Vibrations