Geometry & MOs

Info

ID:

231930

PubChem CID:

87574940

Reduced:

SN5O6H25C30 (1)

Stoich.:

AB5C6D25E30 (1)

Weight, g/mol:

773.01292

ΔHf, kcal/mol:

-25.37

Dipole, Da:

5.11

IP(EA), eV:

 -8.99(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-2-[[(2-hydroxyacetyl)amino]methyl]pyridin-3-yl]methyl]-N-phenyl-4-(trifluoromethylsulfanyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2C3=CC(=CC(=C3)OC4=CC=C(C=C4)/C(=N/O)/N)OC5=CC=C(C=C5)/C(=N/O)/N)S(=O)(=O)N

DOS

IR

Vibrations