Geometry & MOs

Info

ID:	49283
PubChem CID:	11532646
Reduced:	FN3O4H20C26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	457.165388
ΔH_f, kcal/mol:	-104.91
Dipole, Da:	2.65
IP(EA), eV:	-8.57(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;4-[3-[[N-(3-phenylpropanoyl)anilino]methyl]phenyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=CC3=C(C=C12)NC(=C4C=CC(=O)C=C4)N3CCC5=CC=CC=C5F)C(=O)N

DOS

IR

Vibrations