Geometry & MOs

Info

ID:	179609
PubChem CID:	76510959
Reduced:	NF3O5C9H14 (1)
Stoich.:	AB3C5D9E14 (1)
Weight, g/mol:	263.100502
ΔH_f, kcal/mol:	-387.86
Dipole, Da:	2.12
IP(EA), eV:	-10.64(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]amino]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)CO)O)O)NC(=O)C(F)(F)F

DOS

IR

Vibrations