Geometry & MOs

Info

ID:	311602
PubChem CID:	126595463
Reduced:	FNSO4C31H36 (1)
Stoich.:	ABCD4E31F36 (1)
Weight, g/mol:	514.16478
ΔH_f, kcal/mol:	-131.36
Dipole, Da:	4.46
IP(EA), eV:	-8.7(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[5-tert-butyl-4-(2-fluoro-5-methoxyphenyl)thiophen-2-yl]methoxy]phenyl]-3-cyclopropylsulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC1(CCCC1C2=C(ON=C2C3=C(C=CC(=C3)OC)F)CCC4=CC(=CC=C4)C(CC(=O)O)SC5CC5)C

DOS

IR

Vibrations