Geometry & MOs

Info

ID:	42290
PubChem CID:	8149399
Reduced:	OSN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	277.124883
ΔH_f, kcal/mol:	-34.88
Dipole, Da:	2.92
IP(EA), eV:	-8.53(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)NC

DOS

IR

Vibrations