Geometry & MOs

Info

ID:	336451
PubChem CID:	127255458
Reduced:	ClNBr2H10C18 (1)
Stoich.:	ABC2D10E18 (1)
Weight, g/mol:	380.104231
ΔH_f, kcal/mol:	76.87
Dipole, Da:	2.39
IP(EA), eV:	-8.66(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10-(5-phenylthiophen-2-yl)anthracen-9-yl]boronic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)Cl

DOS

IR

Vibrations