Geometry & MOs

Info

ID:	70446
PubChem CID:	48413363
Reduced:	ClSN2O4C16H19 (1)
Stoich.:	ABC2D4E16F19 (1)
Weight, g/mol:	384.135508
ΔH_f, kcal/mol:	-116.84
Dipole, Da:	4.82
IP(EA), eV:	-10.09(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(5-acetamido-2-methoxyphenyl)sulfonyl-cyclopropylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C#N

DOS

IR

Vibrations