Geometry & MOs

Info

ID:	208594
PubChem CID:	80550431
Reduced:	SCl2F2N2H6C11 (1)
Stoich.:	AB2C2D2E6F11 (1)
Weight, g/mol:	300.059632
ΔH_f, kcal/mol:	-34.18
Dipole, Da:	2.63
IP(EA), eV:	-9.04(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-4,6-dichloro-5-fluoropyrimidine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)F)SCC2=NC(=C(C(=N2)Cl)F)Cl

DOS

IR

Vibrations