Geometry & MOs

Info

ID:	139885
PubChem CID:	52611606
Reduced:	N2O5H19C24 (1)
Stoich.:	A2B5C19D24 (1)
Weight, g/mol:	441.211984
ΔH_f, kcal/mol:	-83.11
Dipole, Da:	11.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.020380
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]butyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2CC(=NC3=CC(=C(C=C3)C(=O)[O-])O)C(=O)N2C4=CC=CC=C4

DOS

IR

Vibrations