Geometry & MOs

Info

ID:

307643

PubChem CID:

125307887

Reduced:

SO2N4C14H16 (1)

Stoich.:

AB2C4D14E16 (1)

Weight, g/mol:

486.180089

ΔHf, kcal/mol:

-11.02

Dipole, Da:

2.83

IP(EA), eV:

 -8.88(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-[(1R,2S)-2-hydroxy-1-[[(2R,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-2-methylsulfanyloxan-3-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC(=O)CN=N2)C

DOS

IR

Vibrations