Geometry & MOs

Info

ID:	179198
PubChem CID:	76450242
Reduced:	O5C32H54 (1)
Stoich.:	A5B32C54 (1)
Weight, g/mol:	849.15354
ΔH_f, kcal/mol:	-225.97
Dipole, Da:	6.5
IP(EA), eV:	-6.53(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-acetyl-1-(4-bromophenyl)-4,4,8,8-tetrakis(4-fluorophenyl)oct-7-en-5-ynyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)C(C)C1(CC1C(C)C2CCC3C2(CC(C4C3CC(C5(C4(CCC(C5)O)C)O)O)OC(=O)C)C)C

DOS

IR

Vibrations