Geometry & MOs

Info

ID:	310835
PubChem CID:	126588098
Reduced:	NSO3C22H29 (1)
Stoich.:	ABC3D22E29 (1)
Weight, g/mol:	469.05725
ΔH_f, kcal/mol:	-106.43
Dipole, Da:	4.66
IP(EA), eV:	-8.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-iodophenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2OCC)NC(=S)OC)CC

DOS

IR

Vibrations