Geometry & MOs

Info

ID:

15128

PubChem CID:

430151

Reduced:

NO8C27H27 (1)

Stoich.:

AB8C27D27 (1)

Weight, g/mol:

493.173667

ΔHf, kcal/mol:

-194.5

Dipole, Da:

7.57

IP(EA), eV:

 -8.01(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

23-(dimethylamino)-4,8,22,24-tetrahydroxy-1,12-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,8,10,13,15,18-heptaene-6,17-dione

Drug info:

PubChemData

Smile

CC1C=CC2=C(C3C(=CC2=C1)C(=O)C4=C5C(=CC(=C4C3=O)O)C6(C(C(C(C(O5)O6)O)N(C)C)O)C)O

DOS

IR

Vibrations