Geometry & MOs

Info

ID:	134808
PubChem CID:	51761544
Reduced:	ClN2O2C28H39 (1)
Stoich.:	AB2C2D28E39 (1)
Weight, g/mol:	458.314458
ΔH_f, kcal/mol:	-105.76
Dipole, Da:	2.16
IP(EA), eV:	-9.45(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-hexylamino]-N-butyl-2-cyclohexylacetamide

Drug info:

PubChemData

Smile

CCCCCCN([C@H](C1=CC=C(C=C1)Cl)C(=O)NCCCC)C(=O)C[C@@H](C)C2=CC=CC=C2

DOS

IR

Vibrations