Geometry & MOs

Info

ID:	242906
PubChem CID:	99214100
Reduced:	Cl2N2S2O3C19H22 (1)
Stoich.:	A2B2C2D3E19F22 (1)
Weight, g/mol:	438.099791
ΔH_f, kcal/mol:	-108.51
Dipole, Da:	3.14
IP(EA), eV:	-9.27(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-N-(2-methyl-1H-indol-5-yl)-2-nitro-4-(1,3-thiazol-4-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

CC(C)NS(=O)(=O)C1=CC=CC(=C1)CNC(=O)CSCC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations