Geometry & MOs

Info

ID:

438333

PubChem CID:

135228066

Reduced:

N8H18C21 (1)

Stoich.:

A8B18C21 (1)

Weight, g/mol:

583.306472

ΔHf, kcal/mol:

193.26

Dipole, Da:

11.22

IP(EA), eV:

 -9.02(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-4-amino-N-[5-amino-4-[3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-3-[(5R)-5-[(1R)-1-aminoethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC3=C(N=C2)N=CN3C(C4=CC=CC=N4)C5=CC=CC=N5

DOS

IR

Vibrations