Geometry & MOs

Info

ID:	204629
PubChem CID:	79989379
Reduced:	BrN2O2S2C10H15 (1)
Stoich.:	AB2C2D2E10F15 (1)
Weight, g/mol:	350.98411
ΔH_f, kcal/mol:	-32.42
Dipole, Da:	6.55
IP(EA), eV:	-9.07(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-bromo-4-methylthiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

CCN(C1CNC1)S(=O)(=O)C2=CC(=C(S2)Br)C

DOS

IR

Vibrations