Geometry & MOs

Info

ID:	55669
PubChem CID:	17395769
Reduced:	ClO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	374.102431
ΔH_f, kcal/mol:	-31.32
Dipole, Da:	4.53
IP(EA), eV:	-9.29(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)CC3=CC=CC=C3Cl

DOS

IR

Vibrations