Geometry & MOs

Info

ID:

215200

PubChem CID:

85084354

Reduced:

N3O3C21H34 (2)

Stoich.:

A3B3C21D34 (2)

Weight, g/mol:

753.231593

ΔHf, kcal/mol:

-333.36

Dipole, Da:

5.41

IP(EA), eV:

 -9.03(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetic acid;5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NC=CN1CCCCC2=CC=C(C=C2)CC(=O)NC(COC(C)(C)C)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCCC3CCCCC3

DOS

IR

Vibrations