Geometry & MOs

Info

ID:	244918
PubChem CID:	99431594
Reduced:	SF3N3O3C23H24 (1)
Stoich.:	AB3C3D3E23F24 (1)
Weight, g/mol:	479.149047
ΔH_f, kcal/mol:	-259.12
Dipole, Da:	7.21
IP(EA), eV:	-8.66(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]propanamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CCC(=O)NCC[C@](C4=CC=CC=C4)(C(F)(F)F)O

DOS

IR

Vibrations