Geometry & MOs

Info

ID:	396849
PubChem CID:	135029329
Reduced:	SO2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	366.07316
ΔH_f, kcal/mol:	76.1
Dipole, Da:	6.96
IP(EA), eV:	-8.99(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,7R)-4-(4-bromophenyl)-9-phenyl-3,9-diazatricyclo[5.3.0.01,3]dec-5-ene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C/C=C/C=C/C2=CC=CC=C2)CC(=C)N=[N+]=[N-]

DOS

IR

Vibrations