Geometry & MOs

Info

ID:	37160
PubChem CID:	8017616
Reduced:	ClN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	360.12407
ΔH_f, kcal/mol:	-86.17
Dipole, Da:	1.36
IP(EA), eV:	-8.22(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations