Geometry & MOs

Info

ID:	16340
PubChem CID:	464855
Reduced:	ClSN2O6H11C14 (1)
Stoich.:	ABC2D6E11F14 (1)
Weight, g/mol:	370.002635
ΔH_f, kcal/mol:	-89.63
Dipole, Da:	6.48
IP(EA), eV:	-9.72(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-(5-chloro-2-nitrophenyl)sulfonylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C=CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations