Geometry & MOs

Info

ID:	206299
PubChem CID:	80226794
Reduced:	BrS2N3O4C11H12 (1)
Stoich.:	AB2C3D4E11F12 (1)
Weight, g/mol:	388.95035
ΔH_f, kcal/mol:	-84.85
Dipole, Da:	3.31
IP(EA), eV:	-9.26(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]phenyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)Br)S(=O)(=O)NC2=CN(N=C2)CC(=O)OC

DOS

IR

Vibrations