Geometry & MOs

Info

ID:

317239

PubChem CID:

126634672

Reduced:

N4H42C65 (1)

Stoich.:

A4B42C65 (1)

Weight, g/mol:

429.075174

ΔHf, kcal/mol:

475.35

Dipole, Da:

3.02

IP(EA), eV:

 -8.09(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[7-[methyl(thiophen-2-ylsulfanyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]propanehydrazide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC3=C(C=C2)C4=C(N3C5=CC=CC=C5)C=CC6=CC=CC=C64)C7=C(C8=C(C9=CC=CC=C97)C1=CC=CC=C1N8C1=NC2=C(C3=C(C=CC#CC3)C=C2)C(=N1)C1=CC=CC=C1)C

DOS

IR

Vibrations