Geometry & MOs

Info

ID:	136424
PubChem CID:	52039897
Reduced:	SO2N5H19C22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	453.07593
ΔH_f, kcal/mol:	57.87
Dipole, Da:	4.43
IP(EA), eV:	-8.84(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxybenzamide

Drug info:

PubChemData

Smile

CC1=CC=NN1C2=CC(=NC=N2)OC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4SC

DOS

IR

Vibrations