Geometry & MOs

Info

ID:	44071
PubChem CID:	10500650
Reduced:	F3N3O3H16C19 (1)
Stoich.:	A3B3C3D16E19 (1)
Weight, g/mol:	390.0653
ΔH_f, kcal/mol:	-185.33
Dipole, Da:	3.09
IP(EA), eV:	-9.0(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4-hexylsulfanyl-6-phenylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C)C2C(=O)N=C(NN2C(=O)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations