Geometry & MOs

Info

ID:	64646
PubChem CID:	29203760
Reduced:	SN3O6C22H23 (1)
Stoich.:	AB3C6D22E23 (1)
Weight, g/mol:	431.113747
ΔH_f, kcal/mol:	-151.69
Dipole, Da:	8.76
IP(EA), eV:	-9.42(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[3-[2-(4-fluorophenyl)ethyl]-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3)C(=O)C4=CC=CO4

DOS

IR

Vibrations