Geometry & MOs

Info

ID:	70425
PubChem CID:	48413332
Reduced:	ClSN2O6C16H19 (1)
Stoich.:	ABC2D6E16F19 (1)
Weight, g/mol:	405.02456
ΔH_f, kcal/mol:	-210.84
Dipole, Da:	5.38
IP(EA), eV:	-9.47(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

DOS

IR

Vibrations