Geometry & MOs

Info

ID:	446993
PubChem CID:	135279373
Reduced:	F2N3O3H21C23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	469.179718
ΔH_f, kcal/mol:	-135.43
Dipole, Da:	4.54
IP(EA), eV:	-8.78(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[4-[(3E)-5-[[6-[(1S)-2-carboxycyclopropyl]pyridin-3-yl]amino]penta-1,3-dien-2-yl]-3,5-dimethylphenoxy]propane-1-sulfinate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C(=O)O)NC2=NC=CC3=C2N(CCO3)CC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations