Geometry & MOs

Info

ID:	176955
PubChem CID:	76116670
Reduced:	SO5C18H36 (1)
Stoich.:	AB5C18D36 (1)
Weight, g/mol:	454.210387
ΔH_f, kcal/mol:	-291.19
Dipole, Da:	2.25
IP(EA), eV:	-10.8(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[acetyl-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,3-dihydro-1-benzofuran-3-yl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(CC(=O)OC)OS(=O)(=O)C

DOS

IR

Vibrations