Geometry & MOs

Info

ID:

12903

PubChem CID:

148083

Reduced:

NO10H23C30 (1)

Stoich.:

AB10C23D30 (1)

Weight, g/mol:

557.132196

ΔHf, kcal/mol:

-329.0

Dipole, Da:

8.6

IP(EA), eV:

 -8.79(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,3,20,23,27-pentahydroxy-6-methoxy-4-methyl-18,25-dioxo-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),5,8,10,12,16,19,21,23,26-decaene-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(=C(C2C3=CC=CC=C3C4C1(C2(C5=CC(=C6C(=C5N4)C(=O)C7=C(C=CC(=C7C6=O)O)O)O)O)O)OC)C(=O)O

DOS

IR

Vibrations