Geometry & MOs

Info

ID:	44987
PubChem CID:	10507010
Reduced:	SN2O2C28H29 (1)
Stoich.:	AB2C2D28E29 (1)
Weight, g/mol:	557.271213
ΔH_f, kcal/mol:	3.79
Dipole, Da:	5.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.156901
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4R,5E)-2-azido-6-tert-butylsulfanyl-3,4-bis(phenylmethoxy)octa-5,7-dienoxy]methylbenzene

Drug info:

PubChemData

Smile

CCCC1=[N+](C(=CC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)CCC4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations