Geometry & MOs

Info

ID:	315417
PubChem CID:	126626208
Reduced:	N2C8H19 (2)
Stoich.:	A2B8C19 (2)
Weight, g/mol:	412.113157
ΔH_f, kcal/mol:	-36.71
Dipole, Da:	2.17
IP(EA), eV:	-8.57(2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]-5-sulfanyloxyoxane

Drug info:

PubChemData

Smile

CC(C)NCC(C)(C)N(C)CCC(C)NCCN(C)C

DOS

IR

Vibrations