Geometry & MOs

Info

ID:	309157
PubChem CID:	126539073
Reduced:	O5N6C22H24 (1)
Stoich.:	A5B6C22D24 (1)
Weight, g/mol:	314.209324
ΔH_f, kcal/mol:	-39.71
Dipole, Da:	6.15
IP(EA), eV:	-9.33(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-5-methoxy-4-[2-(3-methylbutoxy)propan-2-yl]-1-oxaspiro[2.5]octan-6-yl] formate

Drug info:

PubChemData

Smile

C1[C@@H](C([C@@]23N1C(=N[C@H](C2N=C(N3)N)CO)N)(O)O)OC(=O)C4=CC=CC=C4C5=CC=CC=C5

DOS

IR

Vibrations