Geometry & MOs

Info

ID:	14780
PubChem CID:	420515
Reduced:	FSCl2O2N4H15C18 (1)
Stoich.:	ABC2D2E4F15G18 (1)
Weight, g/mol:	440.02768
ΔH_f, kcal/mol:	-75.23
Dipole, Da:	8.7
IP(EA), eV:	-9.41(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]benzenesulfonyl fluoride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)S(=O)(=O)F

DOS

IR

Vibrations