Geometry & MOs

Info

ID:	134786
PubChem CID:	51755532
Reduced:	N2O3C27H44 (1)
Stoich.:	A2B3C27D44 (1)
Weight, g/mol:	444.335193
ΔH_f, kcal/mol:	-146.59
Dipole, Da:	6.45
IP(EA), eV:	-9.34(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,5S)-N-[(1R)-2-(butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-hexyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=CC=CO1)C(=O)NCCCC)C(=O)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C

DOS

IR

Vibrations