Geometry & MOs

Info

ID:	59862
PubChem CID:	24900475
Reduced:	O2N3C29H37 (1)
Stoich.:	A2B3C29D37 (1)
Weight, g/mol:	326.00474
ΔH_f, kcal/mol:	-56.56
Dipole, Da:	6.87
IP(EA), eV:	-8.48(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCN(CC2)C(=O)C3CCC(CC3)NC4=CC=C(C=C4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations