Geometry & MOs

Info

ID:	200868
PubChem CID:	79457235
Reduced:	NSO4C10H19 (1)
Stoich.:	ABC4D10E19 (1)
Weight, g/mol:	285.096085
ΔH_f, kcal/mol:	-194.56
Dipole, Da:	3.61
IP(EA), eV:	-9.05(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(1-ethyl-4-nitropyrrole-2-carbonyl)amino]ethoxy]acetic acid

Drug info:

PubChemData

Smile

CCCCSCC(=O)NCCOCC(=O)O

DOS

IR

Vibrations