Geometry & MOs

Info

ID:	45232
PubChem CID:	10509793
Reduced:	O17C43H70 (1)
Stoich.:	A17B43C70 (1)
Weight, g/mol:	859.1361
ΔH_f, kcal/mol:	-810.96
Dipole, Da:	1.85
IP(EA), eV:	-9.4(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

C[C@H](C(=O)CCC(C)C)[C@]1([C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O[C@H]5[C@@H]([C@H]([C@H](CO5)O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O

DOS

IR

Vibrations