Geometry & MOs

Info

ID:

1781

PubChem CID:

5043

Reduced:

Cl2N3O7H21C27 (1)

Stoich.:

A2B3C7D21E27 (1)

Weight, g/mol:

569.075655

ΔHf, kcal/mol:

-213.03

Dipole, Da:

3.94

IP(EA), eV:

 -8.72(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,21-dichloro-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione

Drug info:

PubChemData

Smile

COC1C(OC(C(C1O)O)N2C3=C(C=CC=C3Cl)C4=C5C(=C6C7=C(C(=CC=C7)Cl)NC6=C42)C(=O)NC5=O)CO

DOS

IR

Vibrations