Geometry & MOs

Info

ID:	47484
PubChem CID:	10533259
Reduced:	O14C41H64 (1)
Stoich.:	A14B41C64 (1)
Weight, g/mol:	542.09507
ΔH_f, kcal/mol:	-679.17
Dipole, Da:	3.65
IP(EA), eV:	-9.7(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

CC(=C)[C@@H]1CC[C@]2(C1[C@H]3CC[C@@H]4[C@]5(CC[C@@H]([C@@](C5CC[C@]4([C@@]3(CC2)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)C)C(=O)O

DOS

IR

Vibrations