Geometry & MOs

Info

ID:	35957
PubChem CID:	7980551
Reduced:	FO2N3H16C22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	360.076634
ΔH_f, kcal/mol:	-23.13
Dipole, Da:	3.04
IP(EA), eV:	-9.03(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-fluoro-2-methylphenyl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

DOS

IR

Vibrations