Geometry & MOs

Info

ID:	70455
PubChem CID:	48413374
Reduced:	SN2O6C16H22 (1)
Stoich.:	AB2C6D16E22 (1)
Weight, g/mol:	386.114772
ΔH_f, kcal/mol:	-154.12
Dipole, Da:	3.47
IP(EA), eV:	-10.06(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropylmethyl-(2-methoxy-4-nitrophenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=CC=CC(=C2C)[N+](=O)[O-]

DOS

IR

Vibrations