Geometry & MOs

Info

ID:	277254
PubChem CID:	103827501
Reduced:	ClFSN2O3C11H14 (1)
Stoich.:	ABCD2E3F11G14 (1)
Weight, g/mol:	314.130028
ΔH_f, kcal/mol:	-173.27
Dipole, Da:	4.96
IP(EA), eV:	-9.23(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[2-(3-methoxyphenyl)ethyl]-4-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CCC(C(=O)NC1=C(C=CC(=C1)F)Cl)N

DOS

IR

Vibrations