Geometry & MOs

Info

ID:	70445
PubChem CID:	48413361
Reduced:	SN2O4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	370.075406
ΔH_f, kcal/mol:	-99.51
Dipole, Da:	5.2
IP(EA), eV:	-9.94(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-chloro-3-cyanophenyl)sulfonyl-(cyclopropylmethyl)amino]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations