Geometry & MOs

Info

ID:	140456
PubChem CID:	52700822
Reduced:	ClN2O5C23H27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	401.035227
ΔH_f, kcal/mol:	-176.39
Dipole, Da:	5.25
IP(EA), eV:	-8.29(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(2,6-dichlorophenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)NCC3=CC(=C(C(=C3)Cl)OCC)OC

DOS

IR

Vibrations