Geometry & MOs

Info

ID:	294691
PubChem CID:	117482169
Reduced:	FNSO4C13H14 (1)
Stoich.:	ABCD4E13F14 (1)
Weight, g/mol:	299.073991
ΔH_f, kcal/mol:	-180.47
Dipole, Da:	3.49
IP(EA), eV:	-9.78(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C(=C(C=C1)C2(CCCC2)N=C=O)O)F

DOS

IR

Vibrations