Geometry & MOs

Info

ID:	70433
PubChem CID:	48413341
Reduced:	NSO4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	384.135508
ΔH_f, kcal/mol:	-131.68
Dipole, Da:	4.27
IP(EA), eV:	-9.44(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(3-acetamido-4-methoxyphenyl)sulfonyl-cyclopropylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=CC3=CC=CC=C3CC2

DOS

IR

Vibrations