Geometry & MOs

Info

ID:	35322
PubChem CID:	7979687
Reduced:	ClFN2O4H12C15 (1)
Stoich.:	ABC2D4E12F15 (1)
Weight, g/mol:	358.08097
ΔH_f, kcal/mol:	-92.61
Dipole, Da:	4.43
IP(EA), eV:	-9.69(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-])F

DOS

IR

Vibrations