Geometry & MOs

Info

ID:	392882
PubChem CID:	135018293
Reduced:	N7O7C18H21 (1)
Stoich.:	A7B7C18D21 (1)
Weight, g/mol:	460.152203
ΔH_f, kcal/mol:	-165.56
Dipole, Da:	10.8
IP(EA), eV:	-9.12(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5S)-3,4-dibenzoyloxy-5-methyloxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2N=C3C(=N2)N=C(N=C3N(C)C)C#N)OC(=O)C)OC(=O)C

DOS

IR

Vibrations