Geometry & MOs

Info

ID:	36946
PubChem CID:	8015180
Reduced:	N2O4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	333.11765
ΔH_f, kcal/mol:	-147.33
Dipole, Da:	4.78
IP(EA), eV:	-8.48(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-difluorobenzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)OCC(=O)N[C@@H]3CCCC4=CC=CC=C34

DOS

IR

Vibrations