Geometry & MOs

Info

ID:	14779
PubChem CID:	420514
Reduced:	FSCl2O2N4H13C18 (1)
Stoich.:	ABC2D2E4F13G18 (1)
Weight, g/mol:	438.01203
ΔH_f, kcal/mol:	-49.3
Dipole, Da:	8.49
IP(EA), eV:	-9.27(-1.41)
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]ethenyl]benzenesulfonyl fluoride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)S(=O)(=O)F

DOS

IR

Vibrations