Geometry & MOs

Info

ID:	33142
PubChem CID:	7885143
Reduced:	NO6C18H19 (1)
Stoich.:	AB6C18D19 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	-203.97
Dipole, Da:	4.4
IP(EA), eV:	-9.51(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=CC=C(O2)C(=O)OC)C

DOS

IR

Vibrations