Geometry & MOs

Info

ID:	169581
PubChem CID:	75121647
Reduced:	SCl2F3N3O3H10C17 (1)
Stoich.:	AB2C3D3E3F10G17 (1)
Weight, g/mol:	387.04444
ΔH_f, kcal/mol:	-195.38
Dipole, Da:	10.78
IP(EA), eV:	-9.3(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)COC(=O)C=CC2=C(N=C3N2C=CS3)Cl)C(F)(F)F)Cl

DOS

IR

Vibrations