Geometry & MOs

Info

ID:	33727
PubChem CID:	7887779
Reduced:	FNO6H18C19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	415.118833
ΔH_f, kcal/mol:	-245.35
Dipole, Da:	6.63
IP(EA), eV:	-8.33(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=C(C=C(C=C3)OC)F

DOS

IR

Vibrations