Geometry & MOs

Info

ID:	28624
PubChem CID:	828646
Reduced:	SO2N3H11C16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	34.06
Dipole, Da:	2.43
IP(EA), eV:	-8.47(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,7S)-7-(furan-2-yl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CC=CS4

DOS

IR

Vibrations