Geometry & MOs

Info

ID:	64416
PubChem CID:	29200222
Reduced:	FSN3O4H11C15 (1)
Stoich.:	ABC3D4E11F15 (1)
Weight, g/mol:	329.153955
ΔH_f, kcal/mol:	-63.06
Dipole, Da:	6.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.923423
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NOCC(=O)NC3=CC=C(C=C3)F)[N-]S2(=O)=O

DOS

IR

Vibrations