Geometry & MOs

Info

ID:

398535

PubChem CID:

135033695

Reduced:

N2O8C33H48 (1)

Stoich.:

A2B8C33D48 (1)

Weight, g/mol:

558.268964

ΔHf, kcal/mol:

-398.73

Dipole, Da:

2.4

IP(EA), eV:

 -8.46(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S,3S,4R,5R)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-3-[(1R)-1-hydroxyethyl]-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(=C)CCC1=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations