Geometry & MOs

Info

ID:	410154
PubChem CID:	135082945
Reduced:	BO2H12C14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	280.051778
ΔH_f, kcal/mol:	-164.36
Dipole, Da:	0.16
IP(EA), eV:	-9.55(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-3-(oxomethylidene)-1-prop-2-enylurea

Drug info:

PubChemData

Smile

B1(O[C@H]([C@@H](O1)C2=CC=CC=C2)C3=CC=CC=C3)B4O[C@H]([C@@H](O4)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations