Geometry & MOs

Info

ID:	185768
PubChem CID:	77345049
Reduced:	N4O8C33H48 (1)
Stoich.:	A4B8C33D48 (1)
Weight, g/mol:	628.425586
ΔH_f, kcal/mol:	-366.79
Dipole, Da:	3.33
IP(EA), eV:	-9.22(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-decyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]phenyl]phenyl]benzene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)CCC(=O)N2CCOCC2)C(CNCC(C(CC3=CC=CC=C3)NC(=O)O)O)O

DOS

IR

Vibrations