Geometry & MOs

Info

ID:	156287
PubChem CID:	56369979
Reduced:	S2N4O5C21H30 (1)
Stoich.:	A2B4C5D21E30 (1)
Weight, g/mol:	438.07251
ΔH_f, kcal/mol:	-163.03
Dipole, Da:	9.09
IP(EA), eV:	-8.83(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-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=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations