Geometry & MOs

Info

ID:	383061
PubChem CID:	134974567
Reduced:	NSO4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	448.300886
ΔH_f, kcal/mol:	-137.39
Dipole, Da:	3.98
IP(EA), eV:	-8.75(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

Drug info:

PubChemData

Smile

CC1(CC(=O)C2=CC(=C(C=C2O1)OC)OC(=S)N(C)C)C

DOS

IR

Vibrations