Geometry & MOs

Info

ID:	124410
PubChem CID:	50882071
Reduced:	ClOSN4H15C19 (1)
Stoich.:	ABCD4E15F19 (1)
Weight, g/mol:	404.167083
ΔH_f, kcal/mol:	56.97
Dipole, Da:	3.28
IP(EA), eV:	-8.63(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations