Geometry & MOs

Info

ID:	42239
PubChem CID:	8149342
Reduced:	OSN3C22H27 (1)
Stoich.:	ABC3D22E27 (1)
Weight, g/mol:	354.151433
ΔH_f, kcal/mol:	-16.93
Dipole, Da:	2.56
IP(EA), eV:	-8.56(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)CC2=NC3=C(C(=C(S3)C)C4=CC=C(C=C4)C)C(=O)N2)C

DOS

IR

Vibrations