Geometry & MOs

Info

ID:	1004
PubChem CID:	3656
Reduced:	SN2O4C12H18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	286.098728
ΔH_f, kcal/mol:	-165.81
Dipole, Da:	3.87
IP(EA), eV:	-10.08(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-[4-(hydroxymethyl)phenyl]sulfonylurea

Drug info:

PubChemData

Smile

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)CO

DOS

IR

Vibrations