Geometry & MOs

Info

ID:	20501
PubChem CID:	584341
Reduced:	ClNOSH12C14 (1)
Stoich.:	ABCDE12F14 (1)
Weight, g/mol:	277.032813
ΔH_f, kcal/mol:	19.99
Dipole, Da:	4.84
IP(EA), eV:	-8.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(4-chlorophenyl) N-methyl-N-phenylcarbamothioate

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=S)OC2=CC=C(C=C2)Cl

DOS

IR

Vibrations