Geometry & MOs

Info

ID:

433433

PubChem CID:

135173570

Reduced:

NSO4C16H23 (1)

Stoich.:

ABC4D16E23 (1)

Weight, g/mol:

813.2308

ΔHf, kcal/mol:

-175.52

Dipole, Da:

3.54

IP(EA), eV:

 -9.64(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[2-[2-[4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)phenoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(CC2)C(=O)NC

DOS

IR

Vibrations