Geometry & MOs

Info

ID:

433296

PubChem CID:

135173433

Reduced:

IO4N8H35C40 (1)

Stoich.:

AB4C8D35E40 (1)

Weight, g/mol:

573.20459

ΔHf, kcal/mol:

24.46

Dipole, Da:

5.88

IP(EA), eV:

 -8.16(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]sulfamoyl]-4-hydroxyphenyl]-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=CCNC=C7)C8=CC9=C(C=C8)/C(=N/I)/CC9

DOS

IR

Vibrations