Geometry & MOs

Info

ID:	15483
PubChem CID:	442485
Reduced:	NO4C18H29 (1)
Stoich.:	AB4C18D29 (1)
Weight, g/mol:	323.209658
ΔH_f, kcal/mol:	-216.18
Dipole, Da:	2.88
IP(EA), eV:	-8.64(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,10S,11R,13S,14R,15S)-2,14-dihydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@]23[C@@H]4CCCN2CCC[C@@]3([C@H]([C@@H]1O)C[C@H]4OC(=O)C)O

DOS

IR

Vibrations