Geometry & MOs

Info

ID:	42655
PubChem CID:	8149822
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	331.171834
ΔH_f, kcal/mol:	-101.06
Dipole, Da:	3.23
IP(EA), eV:	-8.7(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N[C@H](C)C2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2

DOS

IR

Vibrations