Geometry & MOs

Info

ID:	311161
PubChem CID:	126589662
Reduced:	FN2O4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	388.179835
ΔH_f, kcal/mol:	-158.11
Dipole, Da:	7.74
IP(EA), eV:	-8.59(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(13E)-14-fluoro-15-methyl-5-oxo-4,11-diazatetracyclo[14.3.1.02,10.04,9]icosa-1(20),2(10),6,13-tetraen-7-yl]-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CCCC1=C(C(NC2=C1CN3C2=CC4=C(C3=O)COC(=O)C4O)/C=C/F)/C(=C/C)/C

DOS

IR

Vibrations