Geometry & MOs

Info

ID:

312796

PubChem CID:

126608695

Reduced:

N2O6C15H26 (1)

Stoich.:

A2B6C15D26 (1)

Weight, g/mol:

745.165153

ΔHf, kcal/mol:

-309.51

Dipole, Da:

7.75

IP(EA), eV:

-10.43(0.04)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

25,26,27,28-tetrahydroxy-11-methyl-23-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,17-disulfonic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)C(C)(C)C(=O)NCNC(=O)C(C)(C)C(C)C(=O)O

DOS

IR

Vibrations