Geometry & MOs

Info

ID:	230127
PubChem CID:	87570262
Reduced:	NBr2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	521.141902
ΔH_f, kcal/mol:	-52.3
Dipole, Da:	6.94
IP(EA), eV:	-8.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-N-[(3R)-3-[4-[(3-cyano-2-oxo-1-thiophen-3-ylpropyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C=C(Br)Br)OCC2=CC=CC=C2C(=NOC)C(=O)O

DOS

IR

Vibrations