Geometry & MOs

Info

ID:	374230
PubChem CID:	131325649
Reduced:	BrClNSH7C11 (1)
Stoich.:	ABCDE7F11 (1)
Weight, g/mol:	242.01837
ΔH_f, kcal/mol:	61.57
Dipole, Da:	1.74
IP(EA), eV:	-9.17(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1CC#N)C=C(S2)Br)CCl

DOS

IR

Vibrations