Geometry & MOs

Info

ID:	43589
PubChem CID:	10321504
Reduced:	ClO3N5H20C23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	449.092453
ΔH_f, kcal/mol:	-4.91
Dipole, Da:	3.2
IP(EA), eV:	-9.0(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-1-[5-chloro-1-(3,4-dimethoxyphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=C(NN=C3)C4=CC(=C(C=C4)Cl)OC

DOS

IR

Vibrations