Geometry & MOs

Info

ID:	48354
PubChem CID:	10539166
Reduced:	ON2S2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	258.165121
ΔH_f, kcal/mol:	-10.67
Dipole, Da:	7.42
IP(EA), eV:	-8.59(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S,3R)-3-hydroxy-2-[(1R)-2-methyl-1-trimethylsilylpropyl]hex-4-enoic acid

Drug info:

PubChemData

Smile

CCO/C=C/1\C(C(=S)N(C(=S)N1C)C)(C)C

DOS

IR

Vibrations