Geometry & MOs

Info

ID:	289497
PubChem CID:	104358368
Reduced:	BrClNO2H11C15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	351.93243
ΔH_f, kcal/mol:	-44.03
Dipole, Da:	3.45
IP(EA), eV:	-9.14(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzothiophen-3-yl-(3-bromo-2-chlorophenyl)methanol

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C(C3=C(C(=CC=C3)Br)Cl)O)NC1=O

DOS

IR

Vibrations