Geometry & MOs

Info

ID:	23349
PubChem CID:	603159
Reduced:	BrOSN2H15C18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	386.00885
ΔH_f, kcal/mol:	22.3
Dipole, Da:	4.58
IP(EA), eV:	-8.57(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=CN=C(S2)NC(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations