Geometry & MOs

Info

ID:	70462
PubChem CID:	48413383
Reduced:	ClSN2O6C16H21 (1)
Stoich.:	ABC2D6E16F21 (1)
Weight, g/mol:	398.151158
ΔH_f, kcal/mol:	-159.49
Dipole, Da:	5.92
IP(EA), eV:	-10.09(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(3-acetamido-4-methoxyphenyl)sulfonyl-(cyclopropylmethyl)amino]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations