Geometry & MOs

Info

ID:	311058
PubChem CID:	126589008
Reduced:	ClNSO2C18H20 (1)
Stoich.:	ABCD2E18F20 (1)
Weight, g/mol:	329.14495
ΔH_f, kcal/mol:	-48.06
Dipole, Da:	3.15
IP(EA), eV:	-8.6(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methylphenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)Cl)NC(=S)OC)C

DOS

IR

Vibrations