Geometry & MOs

Info

ID:	52583
PubChem CID:	12015508
Reduced:	NOC26H33 (1)
Stoich.:	ABC26D33 (1)
Weight, g/mol:	375.1293
ΔH_f, kcal/mol:	-13.15
Dipole, Da:	1.33
IP(EA), eV:	-8.45(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8S,11R)-9-(4-methylphenyl)sulfonyl-11-phenyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)N2C[C@H]3[C@H]([C@@H]2C4=CC=CC=C34)C5=CC=CC=C5

DOS

IR

Vibrations