Geometry & MOs

Info

ID:	218870
PubChem CID:	85090089
Reduced:	PS3N5O5C18H26 (1)
Stoich.:	AB3C5D5E18F26 (1)
Weight, g/mol:	519.273321
ΔH_f, kcal/mol:	-233.63
Dipole, Da:	5.55
IP(EA), eV:	-9.51(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-azido-6-oct-1-ynyl-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)CNC1=NC(=O)C2C(=N1)N(C=N2)C3CC(C(O3)COP4(=S)SCCS4)OC(=O)C

DOS

IR

Vibrations