Geometry & MOs

Info

ID:	36928
PubChem CID:	8014899
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	-121.04
Dipole, Da:	4.01
IP(EA), eV:	-8.46(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 4-ethylbenzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NC2=C(C=CC(=C2)C)C

DOS

IR

Vibrations