Geometry & MOs

Info

ID:	423973
PubChem CID:	135120913
Reduced:	SN4O4C17H18 (1)
Stoich.:	AB4C4D17E18 (1)
Weight, g/mol:	286.159375
ΔH_f, kcal/mol:	-47.51
Dipole, Da:	3.29
IP(EA), eV:	-9.88(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-N,4-N-dimethyl-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NS(=O)(=O)C2=CC=C(O2)C3=CC=NN3)CC4=CC=NC=C4

DOS

IR

Vibrations