Geometry & MOs

Info

ID:	150864
PubChem CID:	53790561
Reduced:	NO7C29H29 (1)
Stoich.:	AB7C29D29 (1)
Weight, g/mol:	358.05282
ΔH_f, kcal/mol:	-223.95
Dipole, Da:	4.69
IP(EA), eV:	-9.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[5-bromo-2-(ethylamino)-6-oxo-1H-pyridin-3-yl]-3-oxopropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)CCC(=O)O[C@@H](COCC2=CC=CC=C2)C(=O)O)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations