Geometry & MOs

Info

ID:	33665
PubChem CID:	7887378
Reduced:	OS2N4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	345.139865
ΔH_f, kcal/mol:	46.65
Dipole, Da:	8.19
IP(EA), eV:	-9.1(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)S[C@@H](C)C(=O)NC3=CC=C(C=C3)C#N)C

DOS

IR

Vibrations