Geometry & MOs

Info

ID:	124324
PubChem CID:	50878716
Reduced:	OSN5H15C18 (1)
Stoich.:	ABC5D15E18 (1)
Weight, g/mol:	311.109233
ΔH_f, kcal/mol:	85.26
Dipole, Da:	10.47
IP(EA), eV:	-9.26(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)N4C=NN=C4

DOS

IR

Vibrations