Geometry & MOs

Info

ID:	299513
PubChem CID:	117687136
Reduced:	SN4O4C31H42 (1)
Stoich.:	AB4C4D31E42 (1)
Weight, g/mol:	442.06039
ΔH_f, kcal/mol:	-155.45
Dipole, Da:	5.5
IP(EA), eV:	-8.8(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4-tetrafluoro-6-methoxy-5-(5,6,7,8-tetrafluoro-2-methylnaphthalen-1-yl)naphthalene

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=NC(=C(C3=C2COC(C3)C(C)C)C#N)SCCC4=CC=C(C=C4)NC(=O)OC(C)(C)C

DOS

IR

Vibrations