Geometry & MOs

Info

ID:	35715
PubChem CID:	7980235
Reduced:	SN2O4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-89.2
Dipole, Da:	2.92
IP(EA), eV:	-8.98(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N(C2=NC(=CS2)COC(=O)COC3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations