Geometry & MOs

Info

ID:	397507
PubChem CID:	135030313
Reduced:	NO3C7H12 (2)
Stoich.:	AB3C7D12 (2)
Weight, g/mol:	538.304287
ΔH_f, kcal/mol:	-267.05
Dipole, Da:	5.65
IP(EA), eV:	-10.01(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=N[C@H](C(=O)N1)C[C@@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)OC

DOS

IR

Vibrations