Geometry & MOs

Info

ID:	22353
PubChem CID:	596905
Reduced:	N2O2S2C11H14 (1)
Stoich.:	A2B2C2D11E14 (1)
Weight, g/mol:	270.04967
ΔH_f, kcal/mol:	-49.73
Dipole, Da:	2.29
IP(EA), eV:	-8.46(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N'-methylcarbamimidothioic acid

Drug info:

PubChemData

Smile

CN=C(NC1=C(C2=C(S1)CCC2)C(=O)OC)S

DOS

IR

Vibrations