Geometry & MOs

Info

ID:	161016
PubChem CID:	57390534
Reduced:	BrOCl3N4C28H30 (1)
Stoich.:	ABC3D4E28F30 (1)
Weight, g/mol:	290.088912
ΔH_f, kcal/mol:	10.63
Dipole, Da:	2.18
IP(EA), eV:	-8.33(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-3-(3-fluorophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=C(C=NC=C1Cl)Cl)N2CCC(CC2)N(CC3=CC=CC=C3Cl)C4=CC=C(C=C4)Br

DOS

IR

Vibrations