Geometry & MOs

Info

ID:	264998
PubChem CID:	103506879
Reduced:	SO2N6C12H14 (1)
Stoich.:	AB2C6D12E14 (1)
Weight, g/mol:	281.156184
ΔH_f, kcal/mol:	29.61
Dipole, Da:	6.22
IP(EA), eV:	-8.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CNC2=C(C(=C(S2)C(=O)N(C)C)N)C#N

DOS

IR

Vibrations