Geometry & MOs

Info

ID:	39191
PubChem CID:	8139892
Reduced:	ON4C26H26 (1)
Stoich.:	AB4C26D26 (1)
Weight, g/mol:	395.069114
ΔH_f, kcal/mol:	76.91
Dipole, Da:	4.55
IP(EA), eV:	-8.94(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(2,4-dichlorophenyl)methoxy]benzoate

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations