Geometry & MOs

Info

ID:	126014
PubChem CID:	50948477
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	338.104876
ΔH_f, kcal/mol:	-26.29
Dipole, Da:	3.98
IP(EA), eV:	-8.54(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,4S)-4-hydroxy-1-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C=CC=N2)CN3CCC(CC3)C(=O)N4CCOCC4

DOS

IR

Vibrations