Geometry & MOs

Info

ID:	128015
PubChem CID:	51026548
Reduced:	SO2C25H26 (1)
Stoich.:	AB2C25D26 (1)
Weight, g/mol:	354.140199
ΔH_f, kcal/mol:	13.68
Dipole, Da:	5.06
IP(EA), eV:	-9.22(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(4-methoxyphenyl)sulfanylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)[C@@H]1[C@H]2C=C[C@@H](C1=C)C2=C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations