Geometry & MOs

Info

ID:	398441
PubChem CID:	135033320
Reduced:	NS2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	448.264501
ΔH_f, kcal/mol:	42.93
Dipole, Da:	2.91
IP(EA), eV:	-8.53(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,8aR)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropan-2-yl]-5,8a-dimethyl-6-oxo-1,2-dihydronaphthalen-2-yl] butanoate

Drug info:

PubChemData

Smile

C1CCN2C[C@@H]([C@H]([C@H]2C1)SC3=CC=CC=C3)CSC4=CC=CC=C4

DOS

IR

Vibrations