Geometry & MOs

Info

ID:	265001
PubChem CID:	103506951
Reduced:	O2S2N4C11H18 (1)
Stoich.:	A2B2C4D11E18 (1)
Weight, g/mol:	316.102768
ΔH_f, kcal/mol:	-56.07
Dipole, Da:	7.6
IP(EA), eV:	-8.59(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[2-(dimethylamino)propylamino]-4-ethylsulfonylthiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CC(CNC1=C(C(=C(S1)C#N)N)S(=O)(=O)C)N(C)C

DOS

IR

Vibrations