Geometry & MOs

Info

ID:	226576
PubChem CID:	87544226
Reduced:	O3C19H26 (2)
Stoich.:	A3B19C26 (2)
Weight, g/mol:	525.08915
ΔH_f, kcal/mol:	-177.75
Dipole, Da:	3.26
IP(EA), eV:	-8.88(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-ethyl-3-[4-(trifluoromethoxy)benzoyl]thiophen-2-yl]carbamoyl-methyl-phenyl-lambda4-sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CC1=CCOC(C1)/C=C/C(C(C/C=C/C(CC(=C)CC(C)CC2CC=CC(O2)CC#C)O)OCC3=CC=C(C=C3)OC)OC

DOS

IR

Vibrations