Geometry & MOs

Info

ID:	124412
PubChem CID:	50882073
Reduced:	OSN4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	334.06551
ΔH_f, kcal/mol:	25.47
Dipole, Da:	1.8
IP(EA), eV:	-8.17(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-7-yl]propanamide

Drug info:

PubChemData

Smile

CC(=NNC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C

DOS

IR

Vibrations