Geometry & MOs

Info

ID:	134934
PubChem CID:	51786209
Reduced:	ClN2O2C25H41 (1)
Stoich.:	AB2C2D25E41 (1)
Weight, g/mol:	436.285656
ΔH_f, kcal/mol:	-150.49
Dipole, Da:	5.26
IP(EA), eV:	-9.35(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2R)-1-(tert-butylamino)-1-oxoheptan-2-yl]-N-(2-chlorophenyl)-2-ethylhexanamide

Drug info:

PubChemData

Smile

CCCCC[C@@H](C(=O)NC(C)(C)C)N(C1=CC=CC=C1Cl)C(=O)[C@H](CC)CCCC

DOS

IR

Vibrations