Geometry & MOs

Info

ID:	68944
PubChem CID:	46513142
Reduced:	SN3O4C21H29 (1)
Stoich.:	AB3C4D21E29 (1)
Weight, g/mol:	426.086113
ΔH_f, kcal/mol:	-143.11
Dipole, Da:	4.7
IP(EA), eV:	-9.41(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations