Geometry & MOs

Info

ID:	171608
PubChem CID:	75403505
Reduced:	N2S2O5H12C13 (1)
Stoich.:	A2B2C5D12E13 (1)
Weight, g/mol:	357.128883
ΔH_f, kcal/mol:	-142.58
Dipole, Da:	4.8
IP(EA), eV:	-9.49(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-fluoro-4-methoxybenzamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)S(=O)(=O)NC(=O)C2=CC=C(C=C2)OCC(=O)N

DOS

IR

Vibrations