Geometry & MOs

Info

ID:	342888
PubChem CID:	127266051
Reduced:	NSO2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-48.56
Dipole, Da:	3.82
IP(EA), eV:	-8.84(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-butoxypyridin-3-yl)methyl]-5-oxooxolane-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2)C(=O)NC3=CC=CC(=C3)CCO

DOS

IR

Vibrations