Geometry & MOs

Info

ID:	64018
PubChem CID:	26759696
Reduced:	SN2O4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-113.84
Dipole, Da:	6.18
IP(EA), eV:	-8.94(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)OC(=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations