Geometry & MOs

Info

ID:	134793
PubChem CID:	51756605
Reduced:	N2O2C29H58 (1)
Stoich.:	A2B2C29D58 (1)
Weight, g/mol:	486.418529
ΔH_f, kcal/mol:	-219.59
Dipole, Da:	3.19
IP(EA), eV:	-9.21(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-ethyl-N-hexyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]hexanamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C(CC)CC)C(=O)NC(C)(C)CC(C)(C)C)C(=O)[C@H](CC)CCCC

DOS

IR

Vibrations