Geometry & MOs

Info

ID:	309531
PubChem CID:	126547104
Reduced:	SO3N5C25H45 (1)
Stoich.:	AB3C5D25E45 (1)
Weight, g/mol:	435.32094
ΔH_f, kcal/mol:	-129.25
Dipole, Da:	4.64
IP(EA), eV:	-8.63(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2R)-2-hydroxypropyl]triazol-1-yl]-N-(11-oxo-11-piperidin-4-ylundecyl)acetamide

Drug info:

PubChemData

Smile

CSCCCC1=CN(N=N1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)C2CCNCC2

DOS

IR

Vibrations