Geometry & MOs

Info

ID:	244185
PubChem CID:	99319270
Reduced:	SF2O2N3H15C16 (1)
Stoich.:	AB2C2D3E15F16 (1)
Weight, g/mol:	402.16158
ΔH_f, kcal/mol:	-123.67
Dipole, Da:	2.29
IP(EA), eV:	-8.5(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

CSC1=C(C=CC=N1)C(=O)NCCNC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations