Geometry & MOs

Info

ID:	74866
PubChem CID:	48422615
Reduced:	ClFSN2O4C17H22 (1)
Stoich.:	ABCD2E4F17G22 (1)
Weight, g/mol:	293.14495
ΔH_f, kcal/mol:	-177.86
Dipole, Da:	2.9
IP(EA), eV:	-9.37(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzylsulfanylethyl)-2-(cyclopropylmethoxy)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl)OCC3CC3

DOS

IR

Vibrations