Geometry & MOs

Info

ID:	358411
PubChem CID:	127295956
Reduced:	FSN3O4C17H24 (1)
Stoich.:	ABC3D4E17F24 (1)
Weight, g/mol:	366.17102
ΔH_f, kcal/mol:	-197.5
Dipole, Da:	4.53
IP(EA), eV:	-8.92(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-cyclopentyloxyphenyl)-1-methyl-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NC2=C(C=CC(=C2)N3CCCS3(=O)=O)F

DOS

IR

Vibrations