Geometry & MOs

Info

ID:	443270
PubChem CID:	135258340
Reduced:	S2O8N9C30H39 (1)
Stoich.:	A2B8C9D30E39 (1)
Weight, g/mol:	216.099774
ΔH_f, kcal/mol:	-264.1
Dipole, Da:	1.6
IP(EA), eV:	-9.21(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S)-4-acetyloxy-5-methyloxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)OC3C4C(C4(OC3N5C=NC6=C(N=CN=C65)N)O)OC(=O)CCCC[C@H]7[C@@H]8[C@H](CS7)NC(=O)N8)NC(=O)N2

DOS

IR

Vibrations