Geometry & MOs

Info

ID:	300075
PubChem CID:	119526689
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	339.140533
ΔH_f, kcal/mol:	-100.27
Dipole, Da:	4.8
IP(EA), eV:	-8.99(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)CN2C(=O)C3=CC=CC=C3NC2=O)N

DOS

IR

Vibrations