Geometry & MOs

Info

ID:	384854
PubChem CID:	134977804
Reduced:	NSF3O4C19H20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	380.156501
ΔH_f, kcal/mol:	-298.28
Dipole, Da:	7.14
IP(EA), eV:	-8.89(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-cyclohepta[a]naphthalen-7-ylidenecyclohepta[b]naphthalene

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC3=C2C(=C1)CN(C3)S(=O)(=O)C(F)(F)F)OC(=O)C(C)(C)C

DOS

IR

Vibrations