Geometry & MOs

Info

ID:	379077
PubChem CID:	134352274
Reduced:	FO3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	480.2584
ΔH_f, kcal/mol:	-213.57
Dipole, Da:	1.65
IP(EA), eV:	-10.39(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,7S,9S,13S,19S)-16-[(1S)-1-hydroxyethyl]-4,9,13,17-tetramethyl-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosane-2,6,12,15,18-pentone

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)F

DOS

IR

Vibrations