Geometry & MOs

Info

ID:	225748
PubChem CID:	87225838
Reduced:	N3O5C34H47 (1)
Stoich.:	A3B5C34D47 (1)
Weight, g/mol:	417.187484
ΔH_f, kcal/mol:	-172.63
Dipole, Da:	5.96
IP(EA), eV:	-8.42(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-4-propan-2-yl-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(CC2)NC(=O)/C(=C/CCCCC(=O)NOC3CCCCO3)/COC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations