Geometry & MOs

Info

ID:	364972
PubChem CID:	127316622
Reduced:	N2O5C16H22 (1)
Stoich.:	A2B5C16D22 (1)
Weight, g/mol:	336.150764
ΔH_f, kcal/mol:	-187.49
Dipole, Da:	2.84
IP(EA), eV:	-9.56(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(oxan-4-yloxy)pyridin-4-yl]methyl]thiane-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1OC2=NC=CC(=C2)CNC(=O)C3COCCO3

DOS

IR

Vibrations