Geometry & MOs

Info

ID:	18455
PubChem CID:	541185
Reduced:	ClSF3N3O3H13C14 (1)
Stoich.:	ABC3D3E3F13G14 (1)
Weight, g/mol:	395.031825
ΔH_f, kcal/mol:	-245.65
Dipole, Da:	4.8
IP(EA), eV:	-9.34(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-acetamido-2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(S2)NC(C(=O)OC)(C(F)(F)F)NC(=O)C)Cl

DOS

IR

Vibrations