Geometry & MOs

Info

ID:	135873
PubChem CID:	51951979
Reduced:	S2N4O4H18C19 (1)
Stoich.:	A2B4C4D18E19 (1)
Weight, g/mol:	387.15291
ΔH_f, kcal/mol:	-39.45
Dipole, Da:	4.59
IP(EA), eV:	-9.69(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)OCC1=CC(=CC=C1)C#N)NS(=O)(=O)C2=CC=CC3=NSN=C32

DOS

IR

Vibrations