Geometry & MOs

Info

ID:	402022
PubChem CID:	135053896
Reduced:	N3O6C26H35 (1)
Stoich.:	A3B6C26D35 (1)
Weight, g/mol:	407.1919
ΔH_f, kcal/mol:	-239.85
Dipole, Da:	3.35
IP(EA), eV:	-9.11(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,7R)-6-cyclohexylidene-3-(4-methylphenyl)sulfonyl-7-phenyl-3-azabicyclo[3.2.0]heptane

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H]([C@@H](C)N(C(=O)OC(C)C)NC(=O)OC(C)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations