Geometry & MOs

Info

ID:	168997
PubChem CID:	75053736
Reduced:	ClOSN3H14C18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	475.139962
ΔH_f, kcal/mol:	80.4
Dipole, Da:	2.2
IP(EA), eV:	-8.74(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(2-fluorophenyl)-N-[4-(4-methyl-1,3-benzothiazol-2-yl)-1,1-dioxothian-4-yl]butanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=NNC(=S)NC2=CC=C(C=C2)Cl)C3=CC=CO3

DOS

IR

Vibrations