Geometry & MOs

Info

ID:	421952
PubChem CID:	135116905
Reduced:	ON4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-37.33
Dipole, Da:	5.94
IP(EA), eV:	-8.58(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-methylthiophen-2-yl)-2-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=CN=C(N=C1N2CCC(C2)CC(=O)NC)C

DOS

IR

Vibrations