Geometry & MOs

Info

ID:	297593
PubChem CID:	117622592
Reduced:	ClN2O4H11C15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	488.05023
ΔH_f, kcal/mol:	-91.9
Dipole, Da:	7.04
IP(EA), eV:	-9.3(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-(2-bromo-5-chlorophenyl)-2-oxopyridin-1-yl]-3-pyridin-3-ylpropanoate

Drug info:

PubChemData

Smile

COC1=CN(C(=O)C=C1C2=C(C=CC(=C2)Cl)C#N)CC(=O)O

DOS

IR

Vibrations