Geometry & MOs

Info

ID:

186390

PubChem CID:

77426801

Reduced:

O2C11H16 (1)

Stoich.:

A2B11C16 (1)

Weight, g/mol:

715.39635

ΔHf, kcal/mol:

23.72

Dipole, Da:

2.46

IP(EA), eV:

-8.65(-0.2)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3,5-diamino-N-[5-amino-4-[3-amino-6-[[[2,4-dihydroxy-3-(hydroxymethyl)butyl]amino]methyl]oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,4-dihydroxypentanamide

Drug info:

PubChemData

Smile

C1CC2C(C=C1)C(C=CC2O)CO

DOS

IR

Vibrations