Geometry & MOs

Info

ID:	70419
PubChem CID:	48413324
Reduced:	NSO3C8H12 (2)
Stoich.:	ABC3D8E12 (2)
Weight, g/mol:	390.091929
ΔH_f, kcal/mol:	-210.99
Dipole, Da:	7.71
IP(EA), eV:	-9.6(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl-[4-(methylsulfamoyl)phenyl]sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N(C)C

DOS

IR

Vibrations