Geometry & MOs

Info

ID:	136030
PubChem CID:	51968755
Reduced:	ClFON3C17H21 (1)
Stoich.:	ABCD3E17F21 (1)
Weight, g/mol:	446.108248
ΔH_f, kcal/mol:	-65.54
Dipole, Da:	6.2
IP(EA), eV:	-9.6(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)N[C@H](C)C2=CC(=CC=C2)F)Cl)CC(C)C

DOS

IR

Vibrations