Geometry & MOs

Info

ID:	288969
PubChem CID:	104329196
Reduced:	FSBr3H8C12 (1)
Stoich.:	ABC3D8E12 (1)
Weight, g/mol:	279.138305
ΔH_f, kcal/mol:	6.68
Dipole, Da:	2.09
IP(EA), eV:	-9.61(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(C2=CC(=C(S2)Br)Br)Br

DOS

IR

Vibrations