Geometry & MOs

Info

ID:	310905
PubChem CID:	126588408
Reduced:	ClNSO2C21H24 (1)
Stoich.:	ABCD2E21F24 (1)
Weight, g/mol:	469.05725
ΔH_f, kcal/mol:	-39.33
Dipole, Da:	5.37
IP(EA), eV:	-8.7(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-ethyl N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-iodophenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2NC(=S)OC)C3CC3)Cl

DOS

IR

Vibrations