Geometry & MOs

Info

ID:

187967

PubChem CID:

77649196

Reduced:

SN3O4C32H35 (1)

Stoich.:

AB3C4D32E35 (1)

Weight, g/mol:

465.199882

ΔHf, kcal/mol:

-94.34

Dipole, Da:

4.29

IP(EA), eV:

 -8.49(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,4,5-trihydroxy-6-[(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,15-trien-13-yl)oxy]oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC=C1)N2CC3CN(C=C3C2)C(=O)C4=C(C=CC=C4C)C)NC(=O)C5=CC=C(C=C5)S(=O)(=O)C

DOS

IR

Vibrations