Geometry & MOs

Info

ID:	33963
PubChem CID:	7889028
Reduced:	OSCl2N3H9C14 (1)
Stoich.:	ABC2D3E9F14 (1)
Weight, g/mol:	419.130363
ΔH_f, kcal/mol:	53.39
Dipole, Da:	4.44
IP(EA), eV:	-8.91(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=NN=C(N2C=C1)SCC(=O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations