Geometry & MOs

Info

ID:	397210
PubChem CID:	135029894
Reduced:	PO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	509.288971
ΔH_f, kcal/mol:	-97.64
Dipole, Da:	3.31
IP(EA), eV:	-9.38(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2O[C@@H](P2(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations