Geometry & MOs

Info

ID:	373353
PubChem CID:	131313822
Reduced:	NOSH9C12 (1)
Stoich.:	ABCD9E12 (1)
Weight, g/mol:	168.994598
ΔH_f, kcal/mol:	35.1
Dipole, Da:	3.9
IP(EA), eV:	-9.15(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-nitrothiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=CS2)C(=C1C#N)C=O

DOS

IR

Vibrations