Geometry & MOs

Info

ID:	341765
PubChem CID:	127264458
Reduced:	SN2O5H26C27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	462.124943
ΔH_f, kcal/mol:	-94.44
Dipole, Da:	4.0
IP(EA), eV:	-9.0(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[3-methyl-4-(N-methylsulfonylanilino)-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=NO3)C)N(C4=CC=CC=C4)S(=O)(=O)C

DOS

IR

Vibrations