Geometry & MOs

Info

ID:	42092
PubChem CID:	8149172
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	345.187484
ΔH_f, kcal/mol:	-157.7
Dipole, Da:	6.4
IP(EA), eV:	-9.03(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-methyl-2-[(1R)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)CC2=NC3=C(C(=C(S3)C(=O)OCCOC)C)C(=O)N2

DOS

IR

Vibrations