Geometry & MOs

Info

ID:	204616
PubChem CID:	79988869
Reduced:	ON3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	395.96355
ΔH_f, kcal/mol:	-47.7
Dipole, Da:	5.25
IP(EA), eV:	-9.79(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]cyclohexane-1-carbothioamide

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)CC4=NN=C(O4)CCN)C

DOS

IR

Vibrations