Geometry & MOs

Info

ID:	70467
PubChem CID:	48413390
Reduced:	SN3O6C17H21 (1)
Stoich.:	AB3C6D17E21 (1)
Weight, g/mol:	390.091929
ΔH_f, kcal/mol:	-209.85
Dipole, Da:	4.17
IP(EA), eV:	-9.55(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C(=O)N3

DOS

IR

Vibrations