Geometry & MOs

Info

ID:

296795

PubChem CID:

117593480

Reduced:

N3O10H57C64 (1)

Stoich.:

A3B10C57D64 (1)

Weight, g/mol:

526.147512

ΔHf, kcal/mol:

-226.4

Dipole, Da:

18.71

IP(EA), eV:

 -8.06(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(3-formyl-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid;(4-hydroxyphenyl) acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)[O-])O)C(=O)O

DOS

IR

Vibrations