Geometry & MOs

Info

ID:	70421
PubChem CID:	48413326
Reduced:	ClSN2O6C14H17 (1)
Stoich.:	ABC2D6E14F17 (1)
Weight, g/mol:	343.120192
ΔH_f, kcal/mol:	-139.4
Dipole, Da:	3.69
IP(EA), eV:	-9.96(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-cyclopropylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations