Geometry & MOs

Info

ID:	135118
PubChem CID:	51815972
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	470.270006
ΔH_f, kcal/mol:	-129.95
Dipole, Da:	6.66
IP(EA), eV:	-9.4(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(1S)-1-(2,4-dimethylphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCN([C@H](C1=CC(=CC=C1)O)C(=O)NC2CCCCC2)C(=O)C(=C)C

DOS

IR

Vibrations