Geometry & MOs

Info

ID:	70381
PubChem CID:	48413269
Reduced:	BrNSO3C16H16 (1)
Stoich.:	ABCD3E16F16 (1)
Weight, g/mol:	419.131506
ΔH_f, kcal/mol:	-48.51
Dipole, Da:	7.31
IP(EA), eV:	-9.39(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1S(=O)(=O)NC2(CC2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations