Geometry & MOs

Info

ID:	139071
PubChem CID:	52467849
Reduced:	SN2O4C24H26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-111.33
Dipole, Da:	6.0
IP(EA), eV:	-8.7(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(3,4-dimethylphenoxy)pyridin-3-yl]-3-prop-2-enylurea

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CCC(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations