Geometry & MOs

Info

ID:	45222
PubChem CID:	10509661
Reduced:	NO15C42H63 (1)
Stoich.:	AB15C42D63 (1)
Weight, g/mol:	822.547413
ΔH_f, kcal/mol:	-681.46
Dipole, Da:	9.67
IP(EA), eV:	-9.56(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

Smile

CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@H]5[C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](CCCCCC(CC(=O)O5)(C)C)NC(=O)OC(C)(C)C)O)O)(CO4)OC(=O)C)O)C)OC(=O)C

DOS

IR

Vibrations