Geometry & MOs

Info

ID:	24613
PubChem CID:	611394
Reduced:	ClNOS3H14C20 (1)
Stoich.:	ABCD3E14F20 (1)
Weight, g/mol:	414.992605
ΔH_f, kcal/mol:	90.16
Dipole, Da:	5.22
IP(EA), eV:	-8.73(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(4-chlorophenyl) diphenylcarbamothioylsulfanylmethanethioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=S)SC(=S)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations