Geometry & MOs

Info

ID:	307799
PubChem CID:	125309420
Reduced:	S2O3N5C16H23 (1)
Stoich.:	A2B3C5D16E23 (1)
Weight, g/mol:	377.148789
ΔH_f, kcal/mol:	-77.84
Dipole, Da:	8.07
IP(EA), eV:	-9.4(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7R)-5-oxo-2-(phenoxymethyl)-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)C2=NN=C(S2)NC(=O)CCCC[C@H]3[C@H]4[C@H](CS3)NC(=O)N4

DOS

IR

Vibrations