Geometry & MOs

Info

ID:

314681

PubChem CID:

126622708

Reduced:

SF3N4O4H27C32 (1)

Stoich.:

AB3C4D4E27F32 (1)

Weight, g/mol:

693.237241

ΔHf, kcal/mol:

-162.04

Dipole, Da:

8.92

IP(EA), eV:

 -8.75(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[6-[1,1-bis(4-chlorophenyl)-2-methoxy-2-oxoethyl]-2-(3-ethoxy-3-oxopropyl)benzimidazol-1-yl]-2-tert-butylpiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NN(C3=C2C=C(C=C3)C(=O)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations