Geometry & MOs

Info

ID:	393517
PubChem CID:	135020883
Reduced:	NPSO6C23H34 (1)
Stoich.:	ABCD6E23F34 (1)
Weight, g/mol:	329.14495
ΔH_f, kcal/mol:	-258.19
Dipole, Da:	7.6
IP(EA), eV:	-9.12(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methylidene-2-(2,4,6-trimethylphenyl)sulfonyl-1,3,6,7-tetrahydrocyclohepta[c]pyrrole

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)OCC#CCN(C/C=C/C1CC1)S(=O)(=O)C2=C(C=C(C=C2C)C)C

DOS

IR

Vibrations