Geometry & MOs

Info

ID:	231751
PubChem CID:	87574589
Reduced:	ClON7C16H20 (1)
Stoich.:	ABC7D16E20 (1)
Weight, g/mol:	788.22517
ΔH_f, kcal/mol:	58.49
Dipole, Da:	5.69
IP(EA), eV:	-8.91(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)-3,5-dimethylphenyl]-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1)N(C(=O)C2CCNCC2)NC3=NC=CN=C3Cl

DOS

IR

Vibrations