Geometry & MOs

Info

ID:	121582
PubChem CID:	50774073
Reduced:	ClSO2N3H14C19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	357.058341
ΔH_f, kcal/mol:	-17.63
Dipole, Da:	5.27
IP(EA), eV:	-8.86(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9-fluoro-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CN2C=NC3=C(C2=O)SC4=CC=CC=C43

DOS

IR

Vibrations