Geometry & MOs

Info

ID:	402392
PubChem CID:	135055823
Reduced:	NSiO2C16H29 (1)
Stoich.:	ABC2D16E29 (1)
Weight, g/mol:	393.17625
ΔH_f, kcal/mol:	-157.9
Dipole, Da:	7.28
IP(EA), eV:	-8.72(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,7S)-3-(4-methylphenyl)sulfonyl-6-phenyl-3-azatricyclo[5.3.2.01,5]dodec-5-ene

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCCC1=CC(=O)C[C@@H]2N1CCC2

DOS

IR

Vibrations