Geometry & MOs

Info

ID:	344096
PubChem CID:	127267272
Reduced:	ClFON3C11H11 (1)
Stoich.:	ABCD3E11F11 (1)
Weight, g/mol:	326.130028
ΔH_f, kcal/mol:	-42.95
Dipole, Da:	6.2
IP(EA), eV:	-9.33(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-butoxyphenyl)-3-[(1,1-dioxothietan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CN(CC(=C1)Cl)C(=O)NC2=NC=C(C=C2)F

DOS

IR

Vibrations