Geometry & MOs

Info

ID:

190386

PubChem CID:

77995588

Reduced:

F4N4O6C31H38 (1)

Stoich.:

A4B4C6D31E38 (1)

Weight, g/mol:

382.075289

ΔHf, kcal/mol:

-392.26

Dipole, Da:

5.58

IP(EA), eV:

 -9.83(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;2-[[5-[(1-carboxylato-2-hydroxyethyl)iminomethyl]-3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]methylamino]-3-hydroxypropanoate

Drug info:

PubChemData

Smile

CC12CCC(CC1CCC3C2CCC4(C3CCC4OC(=O)C5=C(C(=C(C(=C5F)F)N=[N+]=[N-])F)F)C)OC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations