Geometry & MOs

Info

ID:

150331

PubChem CID:

53790019

Reduced:

N2O5C52H56 (1)

Stoich.:

A2B5C52D56 (1)

Weight, g/mol:

699.231576

ΔHf, kcal/mol:

-141.58

Dipole, Da:

5.6

IP(EA), eV:

 -7.86(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(2,4-dimethoxybenzoyl)amino]-2,3-dihydro-1H-inden-1-yl] 4-[2-formyl-6-(methoxymethoxy)benzoyl]-2,3,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(C2=CC=C(C=C2)CCC(=O)CCO)C3=C(C=C(C=C3)C4=CC(=C(C=C4)N(C5=CC=C(C=C5)CCC(=O)OCCO)C6=CC(=C(C=C6)C)C)C)C)C

DOS

IR

Vibrations