Geometry & MOs

Info

ID:	225769
PubChem CID:	87225996
Reduced:	N3O6C38H51 (1)
Stoich.:	A3B6C38D51 (1)
Weight, g/mol:	421.128255
ΔH_f, kcal/mol:	-180.11
Dipole, Da:	7.34
IP(EA), eV:	-8.72(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(C(C)(C)CN(C)C)N(C/C(=C/C1=CC=C(C=C1)C(=O)NOC2CCCCO2)/COC3=CC=CC4=CC=CC=C43)C(=O)O

DOS

IR

Vibrations