Geometry & MOs

Info

ID:	33437
PubChem CID:	7886466
Reduced:	SO2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	375.143905
ΔH_f, kcal/mol:	5.72
Dipole, Da:	6.68
IP(EA), eV:	-8.56(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CC(=O)NCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C=CC=C3

DOS

IR

Vibrations