Geometry & MOs

Info

ID:	64635
PubChem CID:	29203628
Reduced:	SN2O7C20H22 (1)
Stoich.:	AB2C7D20E22 (1)
Weight, g/mol:	458.142405
ΔH_f, kcal/mol:	-214.7
Dipole, Da:	11.74
IP(EA), eV:	-9.14(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCCO2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations