Geometry & MOs

Info

ID:	402390
PubChem CID:	135055795
Reduced:	O5C17H24 (1)
Stoich.:	A5B17C24 (1)
Weight, g/mol:	393.17625
ΔH_f, kcal/mol:	-207.44
Dipole, Da:	3.13
IP(EA), eV:	-9.71(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8S)-6-methyl-3-(4-methylphenyl)sulfonyl-8-phenyl-3-azatricyclo[6.2.1.01,5]undec-5-ene

Drug info:

PubChemData

Smile

CC1([C@@H]2CC(CC2=C[C@H](O1)C3CC3)(C(=O)OC)C(=O)OC)C

DOS

IR

Vibrations