Geometry & MOs

Info

ID:	16859
PubChem CID:	477807
Reduced:	ClSN2O4C15H15 (1)
Stoich.:	ABC2D4E15F15 (1)
Weight, g/mol:	354.044106
ΔH_f, kcal/mol:	-115.62
Dipole, Da:	5.48
IP(EA), eV:	-9.04(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-amino-5-chlorophenyl)sulfonyl-4-ethenylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)N)C=C

DOS

IR

Vibrations