Geometry & MOs

Info

ID:

433300

PubChem CID:

135173437

Reduced:

O2N4H17C20 (2)

Stoich.:

A2B4C17D20 (2)

Weight, g/mol:

587.22024

ΔHf, kcal/mol:

16.34

Dipole, Da:

8.37

IP(EA), eV:

 -8.65(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]sulfamoyl]-4-methoxyphenyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)N6C=C(C(=N6)C7=CC=NC=C7)C8=CC9=C(C=C8)C(=N)CC9

DOS

IR

Vibrations