Geometry & MOs

Info

ID:	258361
PubChem CID:	103153202
Reduced:	NO5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	362.01135
ΔH_f, kcal/mol:	-199.04
Dipole, Da:	6.27
IP(EA), eV:	-9.66(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations