Geometry & MOs

Info

ID:	230499
PubChem CID:	87571093
Reduced:	O6C23H42 (1)
Stoich.:	A6B23C42 (1)
Weight, g/mol:	527.212174
ΔH_f, kcal/mol:	-318.97
Dipole, Da:	5.51
IP(EA), eV:	-9.61(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[(3R)-3-[4-[[2-(1-cyanocyclopropyl)-2-oxo-1-thiophen-3-ylethyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)OC(=O)COCC(CO)O

DOS

IR

Vibrations