Geometry & MOs

Info

ID:	62066
PubChem CID:	26717350
Reduced:	ClON3C23H24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	371.01497
ΔH_f, kcal/mol:	42.77
Dipole, Da:	3.66
IP(EA), eV:	-9.02(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1/C=C/C(=O)N(C)[C@@H](C)C2=CC=CC=C2)Cl)CC3=CC=CC=C3

DOS

IR

Vibrations