Geometry & MOs

Info

ID:	135119
PubChem CID:	51817003
Reduced:	ClN2O2C28H39 (1)
Stoich.:	AB2C2D28E39 (1)
Weight, g/mol:	470.270006
ΔH_f, kcal/mol:	-113.32
Dipole, Da:	1.74
IP(EA), eV:	-8.9(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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