Geometry & MOs

Info

ID:	373493
PubChem CID:	131316056
Reduced:	BrNSO2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	146.014999
ΔH_f, kcal/mol:	-13.08
Dipole, Da:	7.1
IP(EA), eV:	-9.47(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1,1-dioxothietane-3-carbonitrile

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=CC(=C1C#N)Br)CC(=O)O

DOS

IR

Vibrations