Geometry & MOs

Info

ID:	419310
PubChem CID:	135107964
Reduced:	SN2O4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	309.171336
ΔH_f, kcal/mol:	-131.77
Dipole, Da:	6.09
IP(EA), eV:	-8.04(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C=CC(=C12)OC)OC)NC3CCS(=O)(=O)CC3

DOS

IR

Vibrations