Geometry & MOs

Info

ID:	435897
PubChem CID:	135192709
Reduced:	O6C13H22 (1)
Stoich.:	A6B13C22 (1)
Weight, g/mol:	522.315246
ΔH_f, kcal/mol:	-291.91
Dipole, Da:	2.05
IP(EA), eV:	-10.26(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-oxo-4-(pentan-3-ylamino)-6-[2-[2-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyethoxy]ethylamino]octanoic acid

Drug info:

PubChemData

Smile

CC1(OCC(O1)C2C(C3[C@H](O2)OC(O3)(C)C)CO)C

DOS

IR

Vibrations