Geometry & MOs

Info

ID:	310045
PubChem CID:	126573167
Reduced:	Cl2N3O3C36H45 (1)
Stoich.:	A2B3C3D36E45 (1)
Weight, g/mol:	297.981506
ΔH_f, kcal/mol:	-128.59
Dipole, Da:	6.14
IP(EA), eV:	-8.55(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)sulfonyl-3-nitropyridine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)[C@@H](C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)C3=CC4=C(CN(CC4)CC5=C(C=C(C=C5)Cl)Cl)C=C3

DOS

IR

Vibrations