Geometry & MOs

Info

ID:	435260
PubChem CID:	135187030
Reduced:	FSO2N3H12C19 (1)
Stoich.:	ABC2D3E12F19 (1)
Weight, g/mol:	462.047477
ΔH_f, kcal/mol:	18.94
Dipole, Da:	6.56
IP(EA), eV:	-8.72(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[(4-chlorophenyl)carbamoyl]thieno[3,4-b]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C#CC1=CC(=C(C=C1)NS(=O)(=O)C2=CNC3=C2C=CC4=C3N=CC=C4)F

DOS

IR

Vibrations