Geometry & MOs

Info

ID:	23369
PubChem CID:	603219
Reduced:	BrOSN2H15C21 (1)
Stoich.:	ABCD2E15F21 (1)
Weight, g/mol:	422.00885
ΔH_f, kcal/mol:	49.84
Dipole, Da:	1.93
IP(EA), eV:	-8.73(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations