Geometry & MOs

Info

ID:	132155
PubChem CID:	51314575
Reduced:	SF2O2N5H13C16 (1)
Stoich.:	AB2C2D5E13F16 (1)
Weight, g/mol:	398.211804
ΔH_f, kcal/mol:	-47.06
Dipole, Da:	7.72
IP(EA), eV:	-9.58(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-3-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)COC2=CC=C(C=C2)N3C=NN=N3)SC(F)F

DOS

IR

Vibrations