Geometry & MOs

Info

ID:	179664
PubChem CID:	76518307
Reduced:	OF2N6H16C20 (1)
Stoich.:	AB2C6D16E20 (1)
Weight, g/mol:	453.069379
ΔH_f, kcal/mol:	35.93
Dipole, Da:	0.58
IP(EA), eV:	-8.78(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-[4-(2,4-difluorophenyl)-2-methoxycarbonylphenoxy]carbonylsulfanylpropanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC3=C(NC=C3C4=NC(NO4)CC5=C(C(=CC=C5)F)F)N=C2

DOS

IR

Vibrations