Geometry & MOs

Info

ID:	49683
PubChem CID:	11533542
Reduced:	ClSN5O5C22H26 (1)
Stoich.:	ABC5D5E22F26 (1)
Weight, g/mol:	507.94563
ΔH_f, kcal/mol:	-146.97
Dipole, Da:	8.13
IP(EA), eV:	-8.91(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-bromo-2-[1-(4-bromo-2-ethylphenyl)pyrazole-4-carbonyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1OC3=C(CS2(=O)=O)C=C(C=C3Cl)N(CCN(C)C)C(=O)C)C(=O)N=C(N)N

DOS

IR

Vibrations