Geometry & MOs

Info

ID:	169578
PubChem CID:	75121374
Reduced:	ClSN4O4H13C16 (1)
Stoich.:	ABC4D4E13F16 (1)
Weight, g/mol:	443.961744
ΔH_f, kcal/mol:	-60.86
Dipole, Da:	5.91
IP(EA), eV:	-9.35(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3,5-dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)NC(=O)COC(=O)C=CC2=C(N=C3N2C=CS3)Cl

DOS

IR

Vibrations