Geometry & MOs

Info

ID:	135839
PubChem CID:	51944601
Reduced:	F2N2O3C17H18 (1)
Stoich.:	A2B2C3D17E18 (1)
Weight, g/mol:	407.244701
ΔH_f, kcal/mol:	-168.72
Dipole, Da:	4.39
IP(EA), eV:	-8.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]urea

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)F)F)NC(=O)NC2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations