Geometry & MOs

Info

ID:	394672
PubChem CID:	135023485
Reduced:	OC8H10 (1)
Stoich.:	AB8C10 (1)
Weight, g/mol:	551.310071
ΔH_f, kcal/mol:	0.63
Dipole, Da:	4.55
IP(EA), eV:	-9.39(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R,5R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methyl-8-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-oxazolidin-3-yl]nonan-1-one

Drug info:

PubChemData

Smile

CC#C/C(=C(/C)\C=O)/C

DOS

IR

Vibrations