Geometry & MOs

Info

ID:	131695
PubChem CID:	51246212
Reduced:	ClFSN2O3H14C16 (1)
Stoich.:	ABCD2E3F14G16 (1)
Weight, g/mol:	361.134779
ΔH_f, kcal/mol:	-126.21
Dipole, Da:	9.71
IP(EA), eV:	-8.91(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybutanamide

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations