Geometry & MOs

Info

ID:	436407
PubChem CID:	135200342
Reduced:	ClNSO4H24C25 (1)
Stoich.:	ABCD4E24F25 (1)
Weight, g/mol:	489.083528
ΔH_f, kcal/mol:	-142.31
Dipole, Da:	7.48
IP(EA), eV:	-9.09(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)CCC2=C(C3=CC=CC=C3S2)C(=O)NC4=CC=C(C=C4)Cl)C(=O)O

DOS

IR

Vibrations