Geometry & MOs

Info

ID:	228010
PubChem CID:	87563220
Reduced:	NS2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	343.070071
ΔH_f, kcal/mol:	72.13
Dipole, Da:	2.87
IP(EA), eV:	-9.07(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzenecarbothioic S-acid;O-(1-cyanopropyl) benzenecarbothioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=S)SCCCC#N

DOS

IR

Vibrations