Geometry & MOs

Info

ID:

170485

PubChem CID:

75240151

Reduced:

N3O8C33H49 (1)

Stoich.:

A3B8C33D49 (1)

Weight, g/mol:

643.043758

ΔHf, kcal/mol:

-359.65

Dipole, Da:

5.16

IP(EA), eV:

 -9.78(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]-N-[1-(2,3-dichlorophenyl)-2-(ethylsulfonylamino)ethyl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)NC2=NC(=O)N(C=C2)C3C(C(C(O3)CO)O)O

DOS

IR

Vibrations