Geometry & MOs

Info

ID:	134792
PubChem CID:	51756284
Reduced:	SN2O4C31H44 (1)
Stoich.:	AB2C4D31E44 (1)
Weight, g/mol:	466.449829
ΔH_f, kcal/mol:	-162.8
Dipole, Da:	7.98
IP(EA), eV:	-9.25(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-ethyl-N-[(2S)-3-ethyl-1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)pentan-2-yl]-N-hexylhexanamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=CC=C(C=C1)C)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C)C(=O)/C=C\CCCCC

DOS

IR

Vibrations