Geometry & MOs

Info

ID:	391170
PubChem CID:	135003337
Reduced:	O2F3N3H16C20 (1)
Stoich.:	A2B3C3D16E20 (1)
Weight, g/mol:	584.1522
ΔH_f, kcal/mol:	-150.91
Dipole, Da:	3.03
IP(EA), eV:	-8.56(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-tert-butyl 2-O,3-O-diethyl 6-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-4H-pyridine-2,3,5-tricarboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@H]1[C@H](NC2=CC=CC=C2N=C1C(F)(F)F)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations