Geometry & MOs

Info

ID:	149215
PubChem CID:	53788887
Reduced:	SN5O5C28H29 (1)
Stoich.:	AB5C5D28E29 (1)
Weight, g/mol:	275.095771
ΔH_f, kcal/mol:	-110.21
Dipole, Da:	11.07
IP(EA), eV:	-8.66(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[2-hydroxy-1-(4-hydroxyphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC(=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3NCCC4)CNC5=CC=C(C=C5)C(=N)N

DOS

IR

Vibrations