Geometry & MOs

Info

ID:

219580

PubChem CID:

85149307

Reduced:

N2O5C36H44 (1)

Stoich.:

A2B5C36D44 (1)

Weight, g/mol:

585.285736

ΔHf, kcal/mol:

-201.97

Dipole, Da:

2.8

IP(EA), eV:

 -8.87(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCCCN2C(=O)C3=CC=CC=C3C24C56CCCCC5(O4)N(C(=O)CCCC(=O)OCCCCC1)C7=CC=CC=C67

DOS

IR

Vibrations