Geometry & MOs

Info

ID:	404766
PubChem CID:	135070658
Reduced:	NO7C8H15 (1)
Stoich.:	AB7C8D15 (1)
Weight, g/mol:	514.21626
ΔH_f, kcal/mol:	-314.88
Dipole, Da:	3.17
IP(EA), eV:	-10.44(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R,5R)-2,4-dihydroxy-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C(C1[C@H](C(C([C@@H](O1)O)NC(=O)CO)O)O)O

DOS

IR

Vibrations