Geometry & MOs

Info

ID:	391135
PubChem CID:	135003047
Reduced:	CrO7H18C19 (1)
Stoich.:	AB7C18D19 (1)
Weight, g/mol:	367.957454
ΔH_f, kcal/mol:	-43.84
Dipole, Da:	3.73
IP(EA), eV:	-6.66(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-1,4-bis(tert-butylsulfanyl)-1,2,3,4-tetrachlorobuta-1,3-diene

Drug info:

PubChemData

Smile

COC(=[Cr])C1=C(C2C1OCC2)C3=CCCCC3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations