Geometry & MOs

Info

ID:	230165
PubChem CID:	87570336
Reduced:	N2S2O5C12H16 (1)
Stoich.:	A2B2C5D12E16 (1)
Weight, g/mol:	528.243809
ΔH_f, kcal/mol:	-205.52
Dipole, Da:	7.34
IP(EA), eV:	-8.84(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[3-[4-[[(E)-2-cyano-1-(ethylamino)ethenyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CNC(=S)C(=C1)C(=O)O.C(CC(=O)O)C(=O)NCCS

DOS

IR

Vibrations