Geometry & MOs

Info

ID:	172907
PubChem CID:	75570340
Reduced:	ISN3O3H18C25 (1)
Stoich.:	ABC3D3E18F25 (1)
Weight, g/mol:	427.01677
ΔH_f, kcal/mol:	58.01
Dipole, Da:	6.99
IP(EA), eV:	-9.04(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromo-6-methoxyphenoxy]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC=CC=C3)I)OCC4=CC=CC=C4C#N

DOS

IR

Vibrations