Geometry & MOs

Info

ID:	302803
PubChem CID:	124396312
Reduced:	ClNOSH5C9 (2)
Stoich.:	ABCDE5F9 (2)
Weight, g/mol:	490.93032
ΔH_f, kcal/mol:	45.25
Dipole, Da:	2.07
IP(EA), eV:	-8.69(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,6-dibromo-4-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)C2=CC=C(O2)/C=C\3/C(=O)[C@@H](C(=N)S3)C4=NC=CS4)Cl

DOS

IR

Vibrations