Geometry & MOs

Info

ID:	70470
PubChem CID:	48413394
Reduced:	SN2O4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	336.114378
ΔH_f, kcal/mol:	-107.03
Dipole, Da:	4.17
IP(EA), eV:	-9.93(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=CC=CC(=C2)C#N

DOS

IR

Vibrations