Geometry & MOs

Info

ID:	393273
PubChem CID:	135019918
Reduced:	SN4O4C18H24 (1)
Stoich.:	AB4C4D18E24 (1)
Weight, g/mol:	507.229713
ΔH_f, kcal/mol:	-106.3
Dipole, Da:	11.48
IP(EA), eV:	-9.31(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-[(4S)-2-sulfanylidene-4-(2,4,6-trimethylphenyl)-1,3-thiazolidin-3-yl]oct-7-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3(CCCC3N=N2)N4CCCC4C(=O)OC

DOS

IR

Vibrations