Geometry & MOs

Info

ID:	148712
PubChem CID:	53788381
Reduced:	O5C14H14 (1)
Stoich.:	A5B14C14 (1)
Weight, g/mol:	668.078692
ΔH_f, kcal/mol:	-153.6
Dipole, Da:	6.17
IP(EA), eV:	-9.1(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[4-[(5-chloro-1,3-benzoxazol-2-yl)oxymethyl]benzoyl]amino]-4-[3-(4-chlorophenyl)sulfonylpropyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)C=CC(=O)O)OCC=C

DOS

IR

Vibrations