Geometry & MOs

Info

ID:

36546

PubChem CID:

8008219

Reduced:

BrN2O3H12C19 (1)

Stoich.:

AB2C3D12E19 (1)

Weight, g/mol:

386.025869

ΔHf, kcal/mol:

12.05

Dipole, Da:

5.1

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.799909

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-(methylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

C\1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)[O-])/C1=C/C4=CC(=CC=C4)Br

DOS

IR

Vibrations