Geometry & MOs

Info

ID:	338821
PubChem CID:	127259832
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	244.038043
ΔH_f, kcal/mol:	-135.96
Dipole, Da:	1.8
IP(EA), eV:	-9.47(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylphenyl) benzenecarbodithioate

Drug info:

PubChemData

Smile

CC(COC(=O)CCCC1=CC=CC=C1)O

DOS

IR

Vibrations