Geometry & MOs

Info

ID:	390066
PubChem CID:	134996895
Reduced:	CrNO4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	282.074822
ΔH_f, kcal/mol:	-43.73
Dipole, Da:	6.63
IP(EA), eV:	-5.83(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2Z)-2-(ethylsulfanylmethylidene)cyclopentyl]sulfonylbenzene

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1N(C)C(=O)C(C)(C)C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations