Geometry & MOs

Info

ID:	70412
PubChem CID:	48413312
Reduced:	SN2O5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	360.079136
ΔH_f, kcal/mol:	-145.74
Dipole, Da:	3.98
IP(EA), eV:	-9.32(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl-(3-fluoro-2-nitrophenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=C3C=CC=NC3=C(C=C2)OC

DOS

IR

Vibrations