Geometry & MOs

Info

ID:	327553
PubChem CID:	126690313
Reduced:	OSN3C13H23 (1)
Stoich.:	ABC3D13E23 (1)
Weight, g/mol:	228.075491
ΔH_f, kcal/mol:	-26.37
Dipole, Da:	5.42
IP(EA), eV:	-8.17(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(Z)-(3-ethyl-4-methyl-3H-thiophen-2-ylidene)-methylsulfanylmethyl]methanimidamide

Drug info:

PubChemData

Smile

CC1CC(C1)C(=O)C/C(=C(/C(=NC)N)\SC)/NC

DOS

IR

Vibrations