Geometry & MOs

Info

ID:	136730
PubChem CID:	52090912
Reduced:	SN3O7C24H27 (1)
Stoich.:	AB3C7D24E27 (1)
Weight, g/mol:	341.093104
ΔH_f, kcal/mol:	-182.23
Dipole, Da:	7.76
IP(EA), eV:	-8.17(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-methoxy-N-(2-methyl-5-phenylpyrazol-3-yl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NN(C(=C2)NC(=O)C3=CC(=C(C=C3)OC)OC)[C@H]4CCS(=O)(=O)C4)OC

DOS

IR

Vibrations