Geometry & MOs

Info

ID:

314905

PubChem CID:

126623951

Reduced:

BrSN3O3C11H14 (1)

Stoich.:

ABC3D3E11F14 (1)

Weight, g/mol:

739.1519

ΔHf, kcal/mol:

-94.2

Dipole, Da:

3.93

IP(EA), eV:

 -9.96(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,3S,5S)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-[(6-bromopyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl diethyl phosphate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)O)CNC(=O)C2=NC=C(S2)Br

DOS

IR

Vibrations