Geometry & MOs

Info

ID:

376875

PubChem CID:

134222905

Reduced:

SO5H23C26 (2)

Stoich.:

AB5C23D26 (2)

Weight, g/mol:

588.154444

ΔHf, kcal/mol:

-191.27

Dipole, Da:

8.56

IP(EA), eV:

 -8.73(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C/C)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC(=CC=C4)OC5=CC=C(C=C5)S(=O)(=O)C6=CC=C(C=C6)OC7=C(C=CC(=C7)/C=C/C)OCC

DOS

IR

Vibrations