Geometry & MOs

Info

ID:	177051
PubChem CID:	76130398
Reduced:	O5C23H42 (1)
Stoich.:	A5B23C42 (1)
Weight, g/mol:	484.190439
ΔH_f, kcal/mol:	-289.94
Dipole, Da:	5.06
IP(EA), eV:	-10.04(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-4-[2-[3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyloxy]-5,6-dihydroxy-1-oxohexan-3-yl]oxypropanoic acid

Drug info:

PubChemData

Smile

CCCCC(C)(C)C(CCC1C(CC(C1CCCCC2CC2C(=O)O)O)O)O

DOS

IR

Vibrations