Geometry & MOs

Info

ID:	383100
PubChem CID:	134974640
Reduced:	SN2O2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	498.316536
ΔH_f, kcal/mol:	-58.87
Dipole, Da:	3.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.975918
Charge, e:	0

Chem-info

IUPAC name:

(E,2S,3R,4S,7S,8R)-9-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-2,4,6,8-tetramethylnon-5-ene-1,7-diol

Drug info:

PubChemData

Smile

CC(=O)[N+]1=CC=C(C=C1)SC(=O)N(C)C

DOS

IR

Vibrations