Geometry & MOs

Info

ID:	418875
PubChem CID:	135107018
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	327.150429
ΔH_f, kcal/mol:	-39.26
Dipole, Da:	5.26
IP(EA), eV:	-9.04(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(butylsulfanylmethyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N,5-dimethylfuran-2-carboxamide

Drug info:

PubChemData

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C1[C@H]([C@H](CN1CC(=O)NCC2=CC=CC=C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations