Geometry & MOs

Info

ID:	156258
PubChem CID:	56369851
Reduced:	ClS2O3N4C19H25 (1)
Stoich.:	AB2C3D4E19F25 (1)
Weight, g/mol:	438.07251
ΔH_f, kcal/mol:	-86.77
Dipole, Da:	5.71
IP(EA), eV:	-9.24(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methylcarbamoylamino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations