Geometry & MOs

Info

ID:	57685
PubChem CID:	22433333
Reduced:	BrOSN2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	338.00885
ΔH_f, kcal/mol:	6.57
Dipole, Da:	2.33
IP(EA), eV:	-9.0(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethylpropanamide

Drug info:

PubChemData

Smile

CCN(C1=NC(=CS1)C2=CC=C(C=C2)Br)C(=O)C

DOS

IR

Vibrations