Geometry & MOs

Info

ID:	209924
PubChem CID:	80739240
Reduced:	BrNOS2H8C13 (1)
Stoich.:	ABCD2E8F13 (1)
Weight, g/mol:	240.997969
ΔH_f, kcal/mol:	43.26
Dipole, Da:	5.2
IP(EA), eV:	-8.66(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(thieno[3,2-b]thiophene-5-carbonylamino)urea

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)Br)C(=O)C2=CC3=C(S2)C=CS3

DOS

IR

Vibrations