Geometry & MOs

Info

ID:	422895
PubChem CID:	135118578
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	266.129137
ΔH_f, kcal/mol:	-106.26
Dipole, Da:	5.55
IP(EA), eV:	-8.04(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC2(CC1)C3=C(CCO2)C4=CC=CC=C4N3

DOS

IR

Vibrations