Geometry & MOs

Info

ID:

314690

PubChem CID:

126622734

Reduced:

ClSN4O4H21C22 (1)

Stoich.:

ABC4D4E21F22 (1)

Weight, g/mol:

767.178761

ΔHf, kcal/mol:

-34.76

Dipole, Da:

5.0

IP(EA), eV:

 -9.24(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=C(C=CC(=C2)C(C3=CC=C(C=C3)Cl)C4=NC=CS4)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations