Geometry & MOs

Info

ID:	318448
PubChem CID:	126651386
Reduced:	O5N6C26H36 (1)
Stoich.:	A5B6C26D36 (1)
Weight, g/mol:	439.257003
ΔH_f, kcal/mol:	-182.14
Dipole, Da:	2.37
IP(EA), eV:	-9.05(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-4-methoxy-2-[5-methoxy-2-oxo-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-1-yl]pentanoate

Drug info:

PubChemData

Smile

CCOCC1=NC2=C(N1CCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C3=CC=CC=C3N=C2

DOS

IR

Vibrations