Geometry & MOs

Info

ID:	397508
PubChem CID:	135030314
Reduced:	N2O6C31H42 (1)
Stoich.:	A2B6C31D42 (1)
Weight, g/mol:	358.210387
ΔH_f, kcal/mol:	-209.81
Dipole, Da:	4.15
IP(EA), eV:	-9.33(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5R)-2-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-(hydroxymethyl)oxolane-3,4-diol

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

CCOC1=N[C@@H](C(=N[C@H]1C[C@@H]2[C@H]([C@@H]([C@H](O2)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC)C(C)C

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

CCOC1=N[C@@H](C(=N[C@H]1C[C@@H]2[C@H]([C@@H]([C@H](O2)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC)C(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):