Geometry & MOs

Info

ID:	397211
PubChem CID:	135029895
Reduced:	N3O5C29H39 (1)
Stoich.:	A3B5C29D39 (1)
Weight, g/mol:	510.272987
ΔH_f, kcal/mol:	-148.26
Dipole, Da:	4.45
IP(EA), eV:	-9.19(-0.07)
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]methanol

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[C@@H]1C(=N[C@H](C(=N1)OC)C[C@@H]2[C@H]([C@@H]([C@H](O2)CN)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[C@@H]1C(=N[C@H](C(=N1)OC)C[C@@H]2[C@H]([C@@H]([C@H](O2)CN)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):