Geometry & MOs

Info

ID:

214734

PubChem CID:

85083499

Reduced:

Cl2N5O7C25H35 (1)

Stoich.:

A2B5C7D25E35 (1)

Weight, g/mol:

588.22655

ΔHf, kcal/mol:

-312.11

Dipole, Da:

4.28

IP(EA), eV:

 -9.49(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCC(C(=O)N1CC(C(C1C(=O)NC(C(C)O)C(=O)NC(CO)C=O)Cl)Cl)NC(=O)CC(C2=CC=CC=C2)N

DOS

IR

Vibrations