Geometry & MOs

Info

ID:

297627

PubChem CID:

117624162

Reduced:

N5O8C44H59 (1)

Stoich.:

A5B8C44D59 (1)

Weight, g/mol:

342.09642

ΔHf, kcal/mol:

-283.53

Dipole, Da:

1.51

IP(EA), eV:

 -8.71(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[(7-anilino-2,1,3-benzoxadiazol-4-yl)amino]-2-oxoethoxy]acetic acid

Drug info:

PubChemData

Smile

C=C[C@@H]1C[C@@]1(C(=O)N)NC(=O)[C@@H]2C[C@@H]3CN2C(=O)[C@@H](NC(=O)O[C@@H]4C[C@H]4CCCCCC5=C(C6=CC=CC=C6C=C5O3)OCCN7CCOCC7)C8CCCCC8

DOS

IR

Vibrations