Geometry & MOs

Info

ID:

314691

PubChem CID:

126622750

Reduced:

FSCl2N3O4H36C42 (1)

Stoich.:

ABC2D3E4F36G42 (1)

Weight, g/mol:

767.178761

ΔHf, kcal/mol:

-61.74

Dipole, Da:

5.81

IP(EA), eV:

 -8.93(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]sulfonyl-2-fluorophenyl]-2-hydroxy-2-phenylethanone

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(N2C4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)C(C(=O)C6=CC=CC=C6)O)F)C=C(C=C3)C(C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl

DOS

IR

Vibrations