Geometry & MOs

Info

ID:	381357
PubChem CID:	134972068
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	599.440127
ΔH_f, kcal/mol:	-11.74
Dipole, Da:	6.42
IP(EA), eV:	-8.17(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-5-[(2S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyheptyl]-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-2-yl]non-5-en-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1COC(=C2C=CC=C2)N1

DOS

IR

Vibrations