Geometry & MOs

Info

ID:	157260
PubChem CID:	56422465
Reduced:	OSN6C24H28 (1)
Stoich.:	ABC6D24E28 (1)
Weight, g/mol:	478.113333
ΔH_f, kcal/mol:	50.84
Dipole, Da:	2.72
IP(EA), eV:	-9.02(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C(C)C)C(=O)NCC3=NC(=CS3)C4=CC=NC=C4)C(C)(C)C

DOS

IR

Vibrations