Geometry & MOs

Info

ID:	307152
PubChem CID:	125275500
Reduced:	SO2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	391.16444
ΔH_f, kcal/mol:	51.28
Dipole, Da:	2.66
IP(EA), eV:	-8.91(-0.82)
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]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@H]1C(=C(N=N1)C)CCC(=O)NC2=NC(=CS2)[C@H]3C=NC4=C3C=CC(=C4)OC

DOS

IR

Vibrations