Geometry & MOs

Info

ID:	310854
PubChem CID:	126588205
Reduced:	OSC12H20 (1)
Stoich.:	ABC12D20 (1)
Weight, g/mol:	471.03651
ΔH_f, kcal/mol:	-80.13
Dipole, Da:	3.33
IP(EA), eV:	-8.75(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-iodophenyl]-N-hydroxycarbamothioate

Drug info:

PubChemData

Smile

CC(C)CCC1[C@@H]2CC(=O)C[C@@H]2CS1

DOS

IR

Vibrations