Geometry & MOs

Info

ID:	140768
PubChem CID:	52755960
Reduced:	ClN2O6C20H23 (1)
Stoich.:	AB2C6D20E23 (1)
Weight, g/mol:	369.168856
ΔH_f, kcal/mol:	-203.49
Dipole, Da:	4.09
IP(EA), eV:	-8.44(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)OC[C@@H](CNC(=O)CNC(=O)C2=CC=CC=C2Cl)O

DOS

IR

Vibrations