Geometry & MOs

Info

ID:	209248
PubChem CID:	80643298
Reduced:	NOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	274.000133
ΔH_f, kcal/mol:	9.76
Dipole, Da:	2.87
IP(EA), eV:	-8.17(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chlorothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C/C=C/COC1=CC2=C(C=C1)NC=C2

DOS

IR

Vibrations