Geometry & MOs

Info

ID:	443310
PubChem CID:	135258525
Reduced:	FN7C20H24 (1)
Stoich.:	AB7C20D24 (1)
Weight, g/mol:	610.082905
ΔH_f, kcal/mol:	78.85
Dipole, Da:	5.95
IP(EA), eV:	-8.48(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-5-methyl-4H-1,2-oxazol-3-yl]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

C=C(NNC1=C2C(=NCC1)C=C(C=N2)F)N3CCN(CC3)C4=CC=CC=C4N

DOS

IR

Vibrations