Geometry & MOs

Info

ID:

80565

PubChem CID:

49835152

Reduced:

O3N4C20H22 (1)

Stoich.:

A3B4C20D22 (1)

Weight, g/mol:

720.03818

ΔHf, kcal/mol:

-20.63

Dipole, Da:

3.83

IP(EA), eV:

 -8.36(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N-[(E)-1-[5-(4-bromophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-5-N-[[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]phenyl]methyl]thiophene-2,5-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CN(C2=C1C=CC=N2)CCC(=O)N/N=C/C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations