Geometry & MOs

Info

ID:

163929

PubChem CID:

74380874

Reduced:

N2O9C27H40 (1)

Stoich.:

A2B9C27D40 (1)

Weight, g/mol:

658.31016

ΔHf, kcal/mol:

-349.25

Dipole, Da:

6.75

IP(EA), eV:

 -9.27(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxan-2-yl]-methoxyamino]-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2(CCC1CNC(=O)CN3CCOCC3)OC4(C5CC6CC(C5)CC4C6)OO2.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations