Geometry & MOs

Info

ID:	57687
PubChem CID:	22433355
Reduced:	BrSO2N3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	322.113984
ΔH_f, kcal/mol:	-0.51
Dipole, Da:	2.23
IP(EA), eV:	-8.41(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CCN(C1=NC(=CS1)C2=CC=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations