Geometry & MOs

Info

ID:	275894
PubChem CID:	103818804
Reduced:	ClFN4H12C15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	299.072848
ΔH_f, kcal/mol:	58.18
Dipole, Da:	2.69
IP(EA), eV:	-8.44(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyl-3-nitrophenyl)methyl]-1,3-benzothiazol-6-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NCC2=C(C=C(C=C2)F)Cl)N3N=CC=N3

DOS

IR

Vibrations