Geometry & MOs

Info

ID:	206298
PubChem CID:	80226766
Reduced:	BrNS2O4C13H20 (1)
Stoich.:	ABC2D4E13F20 (1)
Weight, g/mol:	392.94526
ΔH_f, kcal/mol:	-159.64
Dipole, Da:	5.97
IP(EA), eV:	-9.68(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]pyrazol-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)Br)S(=O)(=O)N(CCC(=O)OC)CC(C)C

DOS

IR

Vibrations