Geometry & MOs

Info

ID:	62088
PubChem CID:	26717513
Reduced:	SN2O4C27H36 (1)
Stoich.:	AB2C4D27E36 (1)
Weight, g/mol:	311.027998
ΔH_f, kcal/mol:	-147.54
Dipole, Da:	6.97
IP(EA), eV:	-8.93(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC[C@@H]3C4=CC=C(C=C4)OC

DOS

IR

Vibrations