Geometry & MOs

Info

ID:	403675
PubChem CID:	135061263
Reduced:	FNC16H16 (1)
Stoich.:	ABC16D16 (1)
Weight, g/mol:	498.135708
ΔH_f, kcal/mol:	-5.53
Dipole, Da:	2.26
IP(EA), eV:	-9.19(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1,3-bis[(4-methoxyphenyl)sulfanyl]cyclohexyl]sulfanyl-4-methoxybenzene

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](C2=CC=CC=C21)NCC3=CC=CC=C3)F

DOS

IR

Vibrations