Geometry & MOs

Info

ID:	213441
PubChem CID:	81063730
Reduced:	ClNSO3C14H22 (1)
Stoich.:	ABCD3E14F22 (1)
Weight, g/mol:	322.111791
ΔH_f, kcal/mol:	-132.47
Dipole, Da:	2.73
IP(EA), eV:	-9.55(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(chloromethyl)-N-(2-ethoxyethyl)-N-methyl-1-propylpyrrole-3-sulfonamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)CCl)S(=O)(=O)N(C)CCOCC

DOS

IR

Vibrations