Geometry & MOs

Info

ID:	200581
PubChem CID:	79412811
Reduced:	N2S2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	301.088498
ΔH_f, kcal/mol:	40.31
Dipole, Da:	6.71
IP(EA), eV:	-8.48(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(3-methyl-4-nitrophenyl)-4-propylthiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CCCC1=C(SC(=C1N)C#N)C2=CC3=C(S2)CCCCC3

DOS

IR

Vibrations