Geometry & MOs

Info

ID:

313594

PubChem CID:

126616152

Reduced:

SCl2O3N4H32C35 (1)

Stoich.:

AB2C3D4E32F35 (1)

Weight, g/mol:

625.141375

ΔHf, kcal/mol:

-8.46

Dipole, Da:

5.26

IP(EA), eV:

 -8.93(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-chlorophenyl)-[2-cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)benzimidazol-5-yl]-(1,3-thiazol-2-yl)methanol;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations