Geometry & MOs

Info

ID:	373240
PubChem CID:	131312104
Reduced:	BrSN2O2H7C9 (1)
Stoich.:	ABC2D2E7F9 (1)
Weight, g/mol:	231.071785
ΔH_f, kcal/mol:	-15.3
Dipole, Da:	1.48
IP(EA), eV:	-9.55(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(thian-4-yl)benzoyl cyanide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NSC2=C1C=C(C=N2)Br

DOS

IR

Vibrations