Geometry & MOs

Info

ID:	190629
PubChem CID:	78033864
Reduced:	NSO2C11H15 (2)
Stoich.:	ABC2D11E15 (2)
Weight, g/mol:	389.095789
ΔH_f, kcal/mol:	-142.34
Dipole, Da:	3.92
IP(EA), eV:	-8.97(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-3-[6-(5-methyl-1H-pyrazol-4-yl)-4-oxo-4aH-thieno[3,2-d]pyrimidin-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2CNC(C)CC3CCCCC3

DOS

IR

Vibrations