Geometry & MOs

Info

ID:	30376
PubChem CID:	841221
Reduced:	SCl2O2N3H11C13 (1)
Stoich.:	AB2C2D3E11F13 (1)
Weight, g/mol:	285.152892
ΔH_f, kcal/mol:	-32.86
Dipole, Da:	5.2
IP(EA), eV:	-9.1(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-ethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)NNC(=O)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations