Geometry & MOs

Info

ID:	435539
PubChem CID:	135191770
Reduced:	ClSO2N4H9C14 (1)
Stoich.:	ABC2D4E9F14 (1)
Weight, g/mol:	411.117415
ΔH_f, kcal/mol:	21.99
Dipole, Da:	6.45
IP(EA), eV:	-9.24(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydrothieno[3,4-b]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)NS(=O)(=O)C2=CNC3=C2C=CC(=N3)Cl

DOS

IR

Vibrations