Geometry & MOs

Info

ID:	63700
PubChem CID:	26759001
Reduced:	N2O5C20H26 (1)
Stoich.:	A2B5C20D26 (1)
Weight, g/mol:	363.08735
ΔH_f, kcal/mol:	-164.36
Dipole, Da:	3.34
IP(EA), eV:	-8.73(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations