Geometry & MOs

Info

ID:

83257

PubChem CID:

49857360

Reduced:

N8O10C39H48 (1)

Stoich.:

A8B10C39D48 (1)

Weight, g/mol:

729.359845

ΔHf, kcal/mol:

-310.01

Dipole, Da:

5.04

IP(EA), eV:

 -9.0(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S)-2-[[5-[4-[2-[(2S)-1-[(2S)-2-amino-4-methoxybutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazol-3-yl]carbamoyl]pyrrolidin-1-yl]-4-methoxy-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

COCC[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC5=C(C=C4)ON=C5NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCOC)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations