Geometry & MOs

Info

ID:	311059
PubChem CID:	126589013
Reduced:	NSO2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	452.09607
ΔH_f, kcal/mol:	-48.93
Dipole, Da:	1.75
IP(EA), eV:	-8.44(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-1-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]-3-methylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations