Geometry & MOs

Info

ID:	42177
PubChem CID:	8149271
Reduced:	OS2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	24.77
Dipole, Da:	4.22
IP(EA), eV:	-8.62(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NC4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations