Geometry & MOs

Info

ID:	246869
PubChem CID:	103065242
Reduced:	SN7C12H17 (1)
Stoich.:	AB7C12D17 (1)
Weight, g/mol:	242.100146
ΔH_f, kcal/mol:	91.12
Dipole, Da:	5.24
IP(EA), eV:	-8.61(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-ethyl-5-fluoro-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)N2C=CC=N2)NC3CCSC3

DOS

IR

Vibrations