Geometry & MOs

Info

ID:	302787
PubChem CID:	124395402
Reduced:	OSCl2N3C20H21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	458.08672
ΔH_f, kcal/mol:	22.06
Dipole, Da:	5.13
IP(EA), eV:	-8.89(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5S)-5-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)O[C@H](C)C2=NN=C(N2C)SCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations