Geometry & MOs

Info

ID:	134837
PubChem CID:	51766302
Reduced:	N2O3C26H36 (1)
Stoich.:	A2B3C26D36 (1)
Weight, g/mol:	454.319543
ΔH_f, kcal/mol:	-118.48
Dipole, Da:	6.39
IP(EA), eV:	-9.19(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(furan-2-yl)-2-[hexyl-(2-phenylacetyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide

Drug info:

PubChemData

Smile

CCCCCCN([C@H](C1=CC=CO1)C(=O)NC2CCCCC2)C(=O)CC3=CC=CC=C3

DOS

IR

Vibrations