Geometry & MOs

Info

ID:	232788
PubChem CID:	87577018
Reduced:	NO2F3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	518.146484
ΔH_f, kcal/mol:	-185.48
Dipole, Da:	5.24
IP(EA), eV:	-9.59(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-(3,5-diaminophenyl)-2-[2-[4-(1,1,2,2-tetrafluoroethoxy)phenoxy]carbonylphenyl]pent-2-enoic acid

Drug info:

PubChemData

Smile

C=CC/C(=C(\CC1=CC(=C(C=C1F)F)F)/N)/C(=O)O

DOS

IR

Vibrations