Geometry & MOs

Info

ID:	338823
PubChem CID:	127259834
Reduced:	NS2H9C14 (1)
Stoich.:	AB2C9D14 (1)
Weight, g/mol:	260.032957
ΔH_f, kcal/mol:	112.73
Dipole, Da:	4.54
IP(EA), eV:	-9.05(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxyphenyl)methyl benzenecarbodithioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=S)SC2=CC=C(C=C2)C#N

DOS

IR

Vibrations