Geometry & MOs

Info

ID:	163980
PubChem CID:	74381212
Reduced:	PN5O11C14H16 (1)
Stoich.:	AB5C11D14E16 (1)
Weight, g/mol:	398.062423
ΔH_f, kcal/mol:	-417.93
Dipole, Da:	4.59
IP(EA), eV:	-10.12(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] 3-fluorobenzenesulfonate

Drug info:

PubChemData

Smile

C1=NC2C(=NC(=NC2=O)NC(=O)C=CC(=O)O)N1C3C(C(C(O3)COP(=O)(O)O)O)O

DOS

IR

Vibrations