Geometry & MOs

Info

ID:	213417
PubChem CID:	81063644
Reduced:	FN2O5C12H13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	330.02152
ΔH_f, kcal/mol:	-170.04
Dipole, Da:	6.08
IP(EA), eV:	-10.41(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(5-bromo-2-oxopyridin-1-yl)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F

DOS

IR

Vibrations