Geometry & MOs

Info

ID:	134642
PubChem CID:	51733146
Reduced:	ClN2O3C28H37 (1)
Stoich.:	AB2C3D28E37 (1)
Weight, g/mol:	458.233621
ΔH_f, kcal/mol:	-143.72
Dipole, Da:	3.31
IP(EA), eV:	-9.01(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1S)-2-(butylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(3-chlorophenyl)-2-ethylhexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](CC)C(=O)N(C1=CC(=CC=C1)Cl)[C@H](C2=CC=C(C=C2)O)C(=O)NC3CCCCC3

DOS

IR

Vibrations