Geometry & MOs

Info

ID:	70442
PubChem CID:	48413356
Reduced:	NSO4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	354.124943
ΔH_f, kcal/mol:	-115.93
Dipole, Da:	5.6
IP(EA), eV:	-9.37(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-acetamidophenyl)sulfonyl-cyclopropylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations