Geometry & MOs

Info

ID:	194229
PubChem CID:	78501196
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	332.028935
ΔH_f, kcal/mol:	-156.78
Dipole, Da:	2.63
IP(EA), eV:	-9.94(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-thiophen-3-ylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(=O)OC(C)C(=O)NCC2CCCCC2

DOS

IR

Vibrations