Geometry & MOs

Info

ID:

326100

PubChem CID:

126686471

Reduced:

FS2O3N4H17C20 (1)

Stoich.:

AB2C3D4E17F20 (1)

Weight, g/mol:

740.393806

ΔHf, kcal/mol:

-42.55

Dipole, Da:

8.49

IP(EA), eV:

 -8.64(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[(2R)-2,5-bis[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-2,6-difluorophenyl]-3-azaspiro[5.5]undecane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC(=C3)C)C4=NC=C(C(=N4)S(=O)C)F

DOS

IR

Vibrations