Geometry & MOs

Info

ID:	62707
PubChem CID:	26736277
Reduced:	ClSN2F3O4C21H22 (1)
Stoich.:	ABC2D3E4F21G22 (1)
Weight, g/mol:	437.04646
ΔH_f, kcal/mol:	-290.25
Dipole, Da:	5.49
IP(EA), eV:	-8.61(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-[(2,4-dichlorophenyl)methyl]-N-(2-ethoxyphenyl)-3-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations