Geometry & MOs

Info

ID:

433340

PubChem CID:

135173477

Reduced:

N2O5C13H24 (1)

Stoich.:

A2B5C13D24 (1)

Weight, g/mol:

897.278995

ΔHf, kcal/mol:

-255.66

Dipole, Da:

2.81

IP(EA), eV:

 -9.43(0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[3-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenoxy]butanoylamino]acetyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H](N1C([C@H](C(C)C)NC(=O)OC)O)C(=O)O

DOS

IR

Vibrations