Geometry & MOs

Info

ID:	266659
PubChem CID:	103577996
Reduced:	ClSO2N4H9C12 (1)
Stoich.:	ABC2D4E9F12 (1)
Weight, g/mol:	290.047361
ΔH_f, kcal/mol:	85.0
Dipole, Da:	9.55
IP(EA), eV:	-9.72(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-nitropyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1[N+](=O)[O-])C#N)NCCC2=CC=C(S2)Cl

DOS

IR

Vibrations