Geometry & MOs

Info

ID:	298712
PubChem CID:	117654314
Reduced:	SN2O4C27H30 (1)
Stoich.:	AB2C4D27E30 (1)
Weight, g/mol:	534.225368
ΔH_f, kcal/mol:	-129.88
Dipole, Da:	6.04
IP(EA), eV:	-8.71(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-[[3-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]-2,4-dimethylphenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C2=C(C(=CC=C2)C(=O)NC(C)(C)C(=O)C3=C(C=C(C=C3)OC(C)C)C)C(=O)N

DOS

IR

Vibrations