Geometry & MOs

Info

ID:	47373
PubChem CID:	10531988
Reduced:	O7C37H68 (1)
Stoich.:	A7B37C68 (1)
Weight, g/mol:	625.914956
ΔH_f, kcal/mol:	-438.43
Dipole, Da:	4.69
IP(EA), eV:	-9.86(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CC[C@@H](CCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O)O

DOS

IR

Vibrations