Geometry & MOs

Info

ID:	213709
PubChem CID:	81064719
Reduced:	ClNSO4C13H20 (1)
Stoich.:	ABCD4E13F20 (1)
Weight, g/mol:	294.080491
ΔH_f, kcal/mol:	-159.05
Dipole, Da:	6.93
IP(EA), eV:	-9.46(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(chloromethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrole-3-sulfonamide

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)CCl

DOS

IR

Vibrations