Geometry & MOs

Info

ID:	297868
PubChem CID:	117635579
Reduced:	OC15H22 (1)
Stoich.:	AB15C22 (1)
Weight, g/mol:	674.1635
ΔH_f, kcal/mol:	-49.38
Dipole, Da:	1.43
IP(EA), eV:	-9.33(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[2-(2-iodosulfanylethoxycarbonylamino)-7-methyl-5-(4-methyl-4-prop-2-enoxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC(C)[C@H]1CCCC1OCC2=CC=CC=C2

DOS

IR

Vibrations