Geometry & MOs

Info

ID:	34648
PubChem CID:	7978774
Reduced:	ClF3N3O3C15H19 (1)
Stoich.:	AB3C3D3E15F19 (1)
Weight, g/mol:	406.086639
ΔH_f, kcal/mol:	-268.17
Dipole, Da:	8.05
IP(EA), eV:	-9.69(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)OCC(=O)NCC(F)(F)F)Cl

DOS

IR

Vibrations