Geometry & MOs

Info

ID:

277

PubChem CID:

2485

Reduced:

N5O12C21H41 (1)

Stoich.:

A5B12C21D41 (1)

Weight, g/mol:

555.275172

ΔHf, kcal/mol:

-516.68

Dipole, Da:

9.65

IP(EA), eV:

 -9.29(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide

Drug info:

PubChemData

Smile

C1C(C(C(C(C1NC(=O)C(CCN)O)O)OC2C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CN)O)O)N)N

DOS

IR

Vibrations