Geometry & MOs

Info

ID:	237193
PubChem CID:	92717842
Reduced:	BrClNO4H13C23 (1)
Stoich.:	ABCD4E13F23 (1)
Weight, g/mol:	477.02119
ΔH_f, kcal/mol:	-7.1
Dipole, Da:	3.56
IP(EA), eV:	-9.48(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(2-methoxyphenyl)methyl]-1,2-benzoxazol-6-yl] 5-bromo-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2=NOC3=C2C=CC(=C3)OC(=O)C4=CC5=C(O4)C=CC(=C5)Br)Cl

DOS

IR

Vibrations