Geometry & MOs

Info

ID:	33721
PubChem CID:	7887757
Reduced:	FNO5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	322.08097
ΔH_f, kcal/mol:	-215.36
Dipole, Da:	8.0
IP(EA), eV:	-8.98(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=C(C=C(C=C2)OC)F

DOS

IR

Vibrations