Geometry & MOs

Info

ID:	160880
PubChem CID:	57390107
Reduced:	SN2O4H14C18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	270.082684
ΔH_f, kcal/mol:	-41.8
Dipole, Da:	3.24
IP(EA), eV:	-8.79(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=N2)C4=CC=C(O4)CO

DOS

IR

Vibrations