Geometry & MOs

Info

ID:	136324
PubChem CID:	52020037
Reduced:	ClN3O4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	411.080826
ΔH_f, kcal/mol:	-96.14
Dipole, Da:	9.04
IP(EA), eV:	-9.25(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-methylindole-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)Cl)C(=O)C(=N1)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations