Geometry & MOs

Info

ID:	33719
PubChem CID:	7887712
Reduced:	FO4C19H19 (1)
Stoich.:	AB4C19D19 (1)
Weight, g/mol:	375.143905
ΔH_f, kcal/mol:	-180.69
Dipole, Da:	1.53
IP(EA), eV:	-9.14(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C(=O)COC(=O)C2=C(C=C(C=C2)OC)F)C

DOS

IR

Vibrations