Geometry & MOs

Info

ID:	129806
PubChem CID:	51073903
Reduced:	SF2N2O3C15H20 (1)
Stoich.:	AB2C2D3E15F20 (1)
Weight, g/mol:	342.151433
ΔH_f, kcal/mol:	-206.87
Dipole, Da:	6.72
IP(EA), eV:	-9.54(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[benzyl(propan-2-yl)amino]methyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)F)F)NC(=O)CN(C)C2CCS(=O)(=O)C2

DOS

IR

Vibrations