Geometry & MOs

Info

ID:	227640
PubChem CID:	87562148
Reduced:	SN2O3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	355.090331
ΔH_f, kcal/mol:	-70.15
Dipole, Da:	5.35
IP(EA), eV:	-9.1(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5R)-5-(2-benzamidoacetyl)oxy-2,3,4-trihydroxy-6-oxohexanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(S1)C2=CC3=C(C=C2)NC(=C3C=O)C)C

DOS

IR

Vibrations