Geometry & MOs

Info

ID:	135120
PubChem CID:	51817004
Reduced:	ClN2O2C28H39 (1)
Stoich.:	AB2C2D28E39 (1)
Weight, g/mol:	414.207406
ΔH_f, kcal/mol:	-106.89
Dipole, Da:	6.66
IP(EA), eV:	-8.99(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-2-chloro-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCN([C@H](C1=C(C=C(C=C1)C)C)C(=O)NC(C)(C)CC(C)(C)C)C(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations