Geometry & MOs

Info

ID:	396827
PubChem CID:	135029285
Reduced:	SO2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	330.140199
ΔH_f, kcal/mol:	44.03
Dipole, Da:	7.06
IP(EA), eV:	-8.96(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,10S)-12-(4-methylphenyl)sulfonyl-3,12-diazatetracyclo[8.3.0.01,3.04,8]tridec-8-ene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C/C=C/C2=CCCC2)CC(=C)N=[N+]=[N-]

DOS

IR

Vibrations