Geometry & MOs

Info

ID:	156211
PubChem CID:	56369571
Reduced:	FSN2O2H8C9 (2)
Stoich.:	ABC2D2E8F9 (2)
Weight, g/mol:	389.279075
ΔH_f, kcal/mol:	-171.38
Dipole, Da:	4.23
IP(EA), eV:	-9.26(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-cyclopentyloxypyridin-3-yl)methyl]-3-[4-(4-methylpiperazin-1-yl)butyl]urea

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCC(=O)NC2=NC3=CC(=C(C=C3S2)F)F

DOS

IR

Vibrations