Geometry & MOs

Info

ID:	208595
PubChem CID:	80550432
Reduced:	FCl2N2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	276.964352
ΔH_f, kcal/mol:	-42.07
Dipole, Da:	1.46
IP(EA), eV:	-10.3(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,6-dichloro-5-fluoropyrimidin-2-yl)methyl]-4-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C(=N4)Cl)F)Cl

DOS

IR

Vibrations