Geometry & MOs

Info

ID:	134650
PubChem CID:	51734396
Reduced:	ClN2O3C28H31 (1)
Stoich.:	AB2C3D28E31 (1)
Weight, g/mol:	520.1765
ΔH_f, kcal/mol:	-80.85
Dipole, Da:	4.6
IP(EA), eV:	-9.15(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-chlorophenyl)-4-methoxybenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H]([C@H](C)C1=CC=CC=C1)N(C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations