Geometry & MOs

Info

ID:	229983
PubChem CID:	87569796
Reduced:	ClOSF3N3H17C23 (1)
Stoich.:	ABCD3E3F17G23 (1)
Weight, g/mol:	519.207089
ΔH_f, kcal/mol:	-102.02
Dipole, Da:	2.69
IP(EA), eV:	-9.37(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2=CN(C(=C2)C(=O)NC3=NC=CS3)CC4=CC=C(C=C4)C(F)(F)F)Cl

DOS

IR

Vibrations