Geometry & MOs

Info

ID:

191161

PubChem CID:

78113414

Reduced:

SN6O8C53H64 (1)

Stoich.:

AB6C8D53E64 (1)

Weight, g/mol:

390.16383

ΔHf, kcal/mol:

-220.05

Dipole, Da:

3.17

IP(EA), eV:

 -8.12(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-acetamido-4-hydroxy-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carbonyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC(=S)NC1=CC=CC=C1

DOS

IR

Vibrations