Geometry & MOs

Info

ID:	124409
PubChem CID:	50882070
Reduced:	ClOSN4H11C14 (1)
Stoich.:	ABCD4E11F14 (1)
Weight, g/mol:	382.06551
ΔH_f, kcal/mol:	42.77
Dipole, Da:	3.89
IP(EA), eV:	-8.65(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-6-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C(=O)NC2=CC3=C(C=C2)N=C(S3)NN

DOS

IR

Vibrations