Geometry & MOs

Info

ID:	37509
PubChem CID:	8021678
Reduced:	SCl2N3O4H11C15 (1)
Stoich.:	AB2C3D4E11F15 (1)
Weight, g/mol:	394.085098
ΔH_f, kcal/mol:	-97.9
Dipole, Da:	4.24
IP(EA), eV:	-9.42(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=C(N=C2)Cl)Cl

DOS

IR

Vibrations