Geometry & MOs

Info

ID:

164736

PubChem CID:

74444345

Reduced:

N3O3C26H36 (1)

Stoich.:

A3B3C26D36 (1)

Weight, g/mol:

417.08688

ΔHf, kcal/mol:

-88.23

Dipole, Da:

4.19

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.201522

Charge, e:

 -1

Chem-info

IUPAC name:

2-[[(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]methyl]benzoate

Drug info:

PubChemData

Smile

CC(C)C(C1=CC2=C(C=C1)OCCCO2)[NH2+]CC(=O)NC3=CC=C(C=C3)N4CCCCC4

DOS

IR

Vibrations