Geometry & MOs

Info

ID:	42115
PubChem CID:	8149205
Reduced:	SN3O5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	334.158923
ΔH_f, kcal/mol:	-183.06
Dipole, Da:	4.19
IP(EA), eV:	-9.14(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCOCC3)C(=O)OCCOC

DOS

IR

Vibrations