Geometry & MOs

Info

ID:	209973
PubChem CID:	80745710
Reduced:	S2N3O4C12H21 (1)
Stoich.:	A2B3C4D12E21 (1)
Weight, g/mol:	281.054421
ΔH_f, kcal/mol:	-97.25
Dipole, Da:	7.18
IP(EA), eV:	-9.43(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxycyclohexyl)thieno[3,2-b]thiophene-5-carboxamide

Drug info:

PubChemData

Smile

CCCCCNS(=O)(=O)C1=CC(=C(S1)NCCC)[N+](=O)[O-]

DOS

IR

Vibrations