Geometry & MOs

Info

ID:	309166
PubChem CID:	126539296
Reduced:	ClN6O6C69H97 (1)
Stoich.:	AB6C6D69E97 (1)
Weight, g/mol:	390.197063
ΔH_f, kcal/mol:	-287.16
Dipole, Da:	8.29
IP(EA), eV:	-8.98(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-cyclohexylcyclohexyl)-2-(3,4-difluorophenyl)-1,3-difluorobenzene

Drug info:

Smile

CC(CCC(C)OC([C@@H](CC1CCC(CC1)C[C@@H](C2=CC3=CC=CC=C3C=C2)NC(=O)C([C@@H](CC4CCCCC4)N)OC)N)C(=O)NCCC5=CC=CC=C5Cl)OC([C@@H](CC6CCCCC6)N)C(=O)NC(C)C7=CC=CC8=CC=CC=C87

DOS

IR

Vibrations