Geometry & MOs

Info

ID:

169124

PubChem CID:

75067517

Reduced:

N12O17C43H66 (1)

Stoich.:

A12B17C43D66 (1)

Weight, g/mol:

377.147726

ΔHf, kcal/mol:

-788.24

Dipole, Da:

13.08

IP(EA), eV:

 -8.94(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

sodium;5-[2-hydroxy-4-[1-(3-hydroxy-2-propan-2-ylpyridin-4-yl)propan-2-yl]phenyl]-1,2-oxazol-3-one

Drug info:

PubChemData

Smile

CC(C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)N)N)O

DOS

IR

Vibrations