Geometry & MOs

Info

ID:	237203
PubChem CID:	92717887
Reduced:	OSN2C12H12 (2)
Stoich.:	ABC2D12E12 (2)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	48.83
Dipole, Da:	2.52
IP(EA), eV:	-8.7(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N(C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3OC)C4=CC=CS4

DOS

IR

Vibrations