Geometry & MOs

Info

ID:	134810
PubChem CID:	51761625
Reduced:	N2O5C27H36 (1)
Stoich.:	A2B5C27D36 (1)
Weight, g/mol:	442.246772
ΔH_f, kcal/mol:	-188.66
Dipole, Da:	6.73
IP(EA), eV:	-8.95(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-hexylamino]-N-butyl-2-(furan-2-yl)acetamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=CC(=CC=C1)O)C(=O)NCCCC)C(=O)CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations