Geometry & MOs

Info

ID:	16341
PubChem CID:	464858
Reduced:	ClSN3O4C17H22 (1)
Stoich.:	ABC3D4E17F22 (1)
Weight, g/mol:	399.101955
ΔH_f, kcal/mol:	-133.47
Dipole, Da:	5.78
IP(EA), eV:	-8.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)ethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations