Geometry & MOs

Info

ID:	435411
PubChem CID:	135191391
Reduced:	O3N5C11H17 (1)
Stoich.:	A3B5C11D17 (1)
Weight, g/mol:	282.128966
ΔH_f, kcal/mol:	-83.31
Dipole, Da:	12.1
IP(EA), eV:	-9.07(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1Z,3E,5E)-1-methylsulfanylhepta-1,3,5-trien-4-yl]-3,5-dioxabicyclo[5.1.0]octan-1-yl]methanol

Drug info:

PubChemData

Smile

C[C@@](CCO)(CN1C=NC2=C1NC(=NC2=O)N)CO

DOS

IR

Vibrations