Geometry & MOs

Info

ID:	186346
PubChem CID:	77423406
Reduced:	PO9C20H25 (1)
Stoich.:	AB9C20D25 (1)
Weight, g/mol:	569.223594
ΔH_f, kcal/mol:	-418.11
Dipole, Da:	7.53
IP(EA), eV:	-9.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methyl-4-[3-[4-(5-methylthiophen-2-yl)phenyl]-3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enoxy]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CC(C=CCP(=O)(O)O)C(=O)O)O

DOS

IR

Vibrations