Geometry & MOs

Info

ID:	404652
PubChem CID:	135068546
Reduced:	N2O11C49H50 (1)
Stoich.:	A2B11C49D50 (1)
Weight, g/mol:	389.162708
ΔH_f, kcal/mol:	-324.81
Dipole, Da:	6.21
IP(EA), eV:	-9.37(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-benzyl 2-O-ethyl 4-benzyl-6-methylpyridine-2,5-dicarboxylate

Drug info:

PubChemData

Smile

C=CCOC(=O)[C@H](CC(=O)N[C@H]1C(C([C@H](C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations