Geometry & MOs

Info

ID:	24094
PubChem CID:	607834
Reduced:	ClNOSH16C19 (1)
Stoich.:	ABCDE16F19 (1)
Weight, g/mol:	341.064113
ΔH_f, kcal/mol:	30.09
Dipole, Da:	5.24
IP(EA), eV:	-8.86(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(4-chlorophenyl) N-ethyl-N-naphthalen-1-ylcarbamothioate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC2=CC=CC=C21)C(=S)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations