Geometry & MOs

Info

ID:	182270
PubChem CID:	76869066
Reduced:	ClNSF3O3C13H13 (1)
Stoich.:	ABCD3E3F13G13 (1)
Weight, g/mol:	469.04596
ΔH_f, kcal/mol:	-266.1
Dipole, Da:	3.24
IP(EA), eV:	-10.4(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(4-bromo-2-methylphenyl)-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CCNC(=O)C=CC1=C(C=CC(=C1)C(F)(F)F)Cl

DOS

IR

Vibrations