Geometry & MOs

Info

ID:	161727
PubChem CID:	57392456
Reduced:	ON2H9C11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	752.98328
ΔH_f, kcal/mol:	17.66
Dipole, Da:	1.97
IP(EA), eV:	-8.91(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[6-bromo-7-[difluoro(sulfamoyl)methyl]quinolin-2-yl]methyl-[[4-(thiadiazol-4-yl)phenyl]methyl]sulfamoyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

C1CNC(=O)C2=CC3=C(N2C1)C=C(C=C3)C(=O)NC4=NC5=CC=CC=C5C=C4

DOS

IR

Vibrations