Geometry & MOs

Info

ID:	49997
PubChem CID:	11538642
Reduced:	ClSN4H15C22 (1)
Stoich.:	ABC4D15E22 (1)
Weight, g/mol:	402.010888
ΔH_f, kcal/mol:	187.85
Dipole, Da:	4.64
IP(EA), eV:	-8.85(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4-dichlorophenyl)methyl]-N-(1,3-thiazol-2-yl)indazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=S)N=C(C2N=NC3=CC(=CC=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations