Geometry & MOs

Info

ID:	376100
PubChem CID:	134222103
Reduced:	Cl3F6H11C18 (1)
Stoich.:	A3B6C11D18 (1)
Weight, g/mol:	536.161722
ΔH_f, kcal/mol:	-297.93
Dipole, Da:	4.86
IP(EA), eV:	-9.82(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[2-[4-[2-(formylcarbamoylsulfanyl)-2-methyl-3-oxo-3-phenylmethoxypropyl]phenoxy]ethyl]pyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C/C(C2=CC(=C(C(=C2)Cl)Cl)Cl)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations