Geometry & MOs

Info

ID:	39503
PubChem CID:	8141061
Reduced:	NCl2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	394.085098
ΔH_f, kcal/mol:	-68.87
Dipole, Da:	4.22
IP(EA), eV:	-9.14(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-ethoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)N[C@H](C)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations