Geometry & MOs

Info

ID:	42837
PubChem CID:	8150078
Reduced:	OSN3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	379.171834
ΔH_f, kcal/mol:	8.97
Dipole, Da:	2.54
IP(EA), eV:	-8.55(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)NCC3=NC4=C(C5=C(S4)CCC5)C(=O)N3

DOS

IR

Vibrations