Geometry & MOs

Info

ID:	150157
PubChem CID:	53789844
Reduced:	BrN2O2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	651.159926
ΔH_f, kcal/mol:	-33.95
Dipole, Da:	6.19
IP(EA), eV:	-9.03(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-[2-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]oxy-3,5-difluoropyridin-4-yl]oxy-3-(3-methyl-2,4-dihydroimidazol-2-yl)phenyl]sulfonylphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)N=NC1=CC=CC=C1Br

DOS

IR

Vibrations