Geometry & MOs

Info

ID:	230609
PubChem CID:	87571477
Reduced:	NSi2C13H28 (1)
Stoich.:	AB2C13D28 (1)
Weight, g/mol:	543.147381
ΔH_f, kcal/mol:	24.94
Dipole, Da:	1.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.805967
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(2,6-dichloro-4-methylpyridine-3-carbonyl)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butan-1-amine oxide

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)CNC(C)/C(=C(/C)\[Si])/C

DOS

IR

Vibrations