Geometry & MOs

Info

ID:	70464
PubChem CID:	48413385
Reduced:	SN2O5C18H24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	390.091929
ΔH_f, kcal/mol:	-196.66
Dipole, Da:	2.64
IP(EA), eV:	-9.52(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropylmethyl-(4-sulfamoylphenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3

DOS

IR

Vibrations