Geometry & MOs

Info

ID:	409747
PubChem CID:	135082532
Reduced:	O7H20C28 (1)
Stoich.:	A7B20C28 (1)
Weight, g/mol:	268.051778
ΔH_f, kcal/mol:	-172.92
Dipole, Da:	2.11
IP(EA), eV:	-8.66(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-3-(oxomethylidene)-1-propan-2-ylurea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2C(=O)C3C=C(C=C4C3C(=C(O4)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)O)O

DOS

IR

Vibrations