Geometry & MOs

Info

ID:	185774
PubChem CID:	77345580
Reduced:	SN2O4C28H42 (1)
Stoich.:	AB2C4D28E42 (1)
Weight, g/mol:	606.348479
ΔH_f, kcal/mol:	-166.75
Dipole, Da:	9.6
IP(EA), eV:	-8.2(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-1-enoxy-4-[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluorobenzene

Drug info:

PubChemData

Smile

CCCCC(C1CCCCSC1)C(=CCC2=C(C(=C3COC(=O)C3=C2NC)C)OC)C(=O)N(C)C

DOS

IR

Vibrations