Geometry & MOs

Info

ID:	37158
PubChem CID:	8017606
Reduced:	ClN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	389.114234
ΔH_f, kcal/mol:	-119.5
Dipole, Da:	3.4
IP(EA), eV:	-8.83(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)OC)OC(=O)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations