Geometry & MOs

Info

ID:	61601
PubChem CID:	26710893
Reduced:	ClSN3O3C21H24 (1)
Stoich.:	ABC3D3E21F24 (1)
Weight, g/mol:	432.092597
ΔH_f, kcal/mol:	-78.3
Dipole, Da:	1.84
IP(EA), eV:	-8.53(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyethylamino)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-nitrobenzamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NCCC2=CNC3=CC=CC=C32)Cl

DOS

IR

Vibrations