Geometry & MOs

Info

ID:	337772
PubChem CID:	127258395
Reduced:	O5C18H30 (1)
Stoich.:	A5B18C30 (1)
Weight, g/mol:	206.079038
ΔH_f, kcal/mol:	-268.94
Dipole, Da:	6.71
IP(EA), eV:	-10.59(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R,3R)-2,3-dihydroxybutoxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CCCC(CC1)C2CCCC[C@H]([C@@H]2O)OC(=O)CCC(=O)O

DOS

IR

Vibrations