Geometry & MOs

Info

ID:	24813
PubChem CID:	613811
Reduced:	NSC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	222.028541
ΔH_f, kcal/mol:	58.2
Dipole, Da:	3.52
IP(EA), eV:	-8.33(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-(3,4-dihydro-2H-thiopyran-5-yl)thiophene-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC(=CSC1)C2=CC(=C(S2)N)C#N

DOS

IR

Vibrations