Geometry & MOs

Info

ID:

323863

PubChem CID:

126676369

Reduced:

N3O3C20H23 (1)

Stoich.:

A3B3C20D23 (1)

Weight, g/mol:

453.195859

ΔHf, kcal/mol:

-84.97

Dipole, Da:

3.06

IP(EA), eV:

 -9.5(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-5-amino-6-[(1R)-4,6-diamino-2-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohex-3-en-1-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H](C)N2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CC3

DOS

IR

Vibrations