Geometry & MOs

Info

ID:	188697
PubChem CID:	77756964
Reduced:	IF2O3N4C26H33 (1)
Stoich.:	AB2C3D4E26F33 (1)
Weight, g/mol:	384.153266
ΔH_f, kcal/mol:	-182.93
Dipole, Da:	1.64
IP(EA), eV:	-9.51(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3-(4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCCN1CCN(CC1=O)CC(=O)NC(CC2=CC(=CC(=C2)F)F)C(CNCC3=CC(=CC=C3)I)O

DOS

IR

Vibrations