Geometry & MOs

Info

ID:	236999
PubChem CID:	92716695
Reduced:	ClNS2O3C18H18 (1)
Stoich.:	ABC2D3E18F18 (1)
Weight, g/mol:	409.057314
ΔH_f, kcal/mol:	-94.53
Dipole, Da:	8.64
IP(EA), eV:	-9.43(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-N-[(1R,2R)-2-methylcyclohexyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1C(=O)C2=CC3=C(S2)C4=C(C=C(C=C4)Cl)S(=O)(=O)C3

DOS

IR

Vibrations