Geometry & MOs

Info

ID:

323931

PubChem CID:

126676633

Reduced:

F3N7H14C17 (1)

Stoich.:

A3B7C14D17 (1)

Weight, g/mol:

468.254377

ΔHf, kcal/mol:

-5.62

Dipole, Da:

5.67

IP(EA), eV:

 -9.02(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2R,4S,5S)-5-[(3R,4R)-1,5-diamino-4-[(2R,4R,5R)-3-amino-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxyhexan-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl]guanidine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C=C(C=N2)CC3=CC(=NC4=NNN=C34)N)C(F)(F)F

DOS

IR

Vibrations