Geometry & MOs

Info

ID:	154622
PubChem CID:	56314098
Reduced:	N3O3S3H19C21 (1)
Stoich.:	A3B3C3D19E21 (1)
Weight, g/mol:	438.122498
ΔH_f, kcal/mol:	-18.78
Dipole, Da:	8.8
IP(EA), eV:	-8.16(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-ylmethyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N(C)CC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations