Geometry & MOs

Info

ID:

182532

PubChem CID:

76901187

Reduced:

O2N8H30C31 (1)

Stoich.:

A2B8C30D31 (1)

Weight, g/mol:

243.067762

ΔHf, kcal/mol:

41.19

Dipole, Da:

7.61

IP(EA), eV:

 -9.11(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3aS,5R,6S,7R,7aS)-6,7-dihydroxy-2-(methylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]acetonitrile

Drug info:

PubChemData

Smile

CCC(C1=NC2=CC=CC(=C2C(=O)N1C3=CC=CC=C3)C)NC4=NC(=NC(=C4/C=C/C(=O)NC5=CC=NC=C5)C)N

DOS

IR

Vibrations