Geometry & MOs

Info

ID:	346764
PubChem CID:	127271268
Reduced:	FSN3O5C15H20 (1)
Stoich.:	ABC3D5E15F20 (1)
Weight, g/mol:	379.190734
ΔH_f, kcal/mol:	-231.26
Dipole, Da:	3.26
IP(EA), eV:	-9.22(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)CCNC(=O)NCC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations