Geometry & MOs

Info

ID:	328826
PubChem CID:	126728320
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	618.336375
ΔH_f, kcal/mol:	-27.75
Dipole, Da:	4.5
IP(EA), eV:	-9.06(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-ethyl-3,4-dihydroxy-6-[2-[[2-[(E)-oct-3-enoxy]acetyl]amino]ethylcarbamoyl]oxan-2-yl]oxy-4,5-dihydroxy-6-propan-2-yloxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC=N/C(=C\C(=C)C1=C(C(=O)C1=O)O)/C

DOS

IR

Vibrations