Geometry & MOs

Info

ID:	121567
PubChem CID:	50773698
Reduced:	ClSO2F3N3H13C20 (1)
Stoich.:	ABC2D3E3F13G20 (1)
Weight, g/mol:	439.100205
ΔH_f, kcal/mol:	-181.05
Dipole, Da:	4.06
IP(EA), eV:	-8.7(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-(9-fluoro-2-methyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=O)N1CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)SC4=CC=CC=C42

DOS

IR

Vibrations