Geometry & MOs

Info

ID:	203534
PubChem CID:	79842825
Reduced:	SO3N4C10H20 (1)
Stoich.:	AB3C4D10E20 (1)
Weight, g/mol:	245.083413
ΔH_f, kcal/mol:	-91.55
Dipole, Da:	1.99
IP(EA), eV:	-8.3(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCS(=O)(=O)C)CC(CN1C=C(C=N1)N)O

DOS

IR

Vibrations