Geometry & MOs

Info

ID:	310901
PubChem CID:	126588400
Reduced:	ClNSO2C19H22 (1)
Stoich.:	ABCD2E19F22 (1)
Weight, g/mol:	474.98697
ΔH_f, kcal/mol:	-60.91
Dipole, Da:	5.69
IP(EA), eV:	-8.68(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-iodophenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2NC(=S)OC)C)Cl

DOS

IR

Vibrations