Geometry & MOs

Info

ID:

444795

PubChem CID:

135263552

Reduced:

ClBr2O3N4C33H41 (1)

Stoich.:

AB2C3D4E33F41 (1)

Weight, g/mol:

1413.02117

ΔHf, kcal/mol:

-66.01

Dipole, Da:

5.63

IP(EA), eV:

 -9.39(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)-3-chlorophenyl]-1,1-dimethylurea;[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropane-1-carboxylate;2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br.CC(C)C1CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations