Geometry & MOs

Info

ID:	145519
PubChem CID:	53536743
Reduced:	F2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	408.075548
ΔH_f, kcal/mol:	-26.64
Dipole, Da:	2.04
IP(EA), eV:	-9.54(-0.45)
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 2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CN(N=C1)CCNCC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations