Geometry & MOs

Info

ID:	227003
PubChem CID:	87559551
Reduced:	ORuSCl2N2C32H34 (1)
Stoich.:	ABCD2E2F32G34 (1)
Weight, g/mol:	501.176307
ΔH_f, kcal/mol:	70.83
Dipole, Da:	10.38
IP(EA), eV:	-6.51(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[benzyl(ethyl)carbamoyl]oxymethyl]-4-methoxy-3-phenyl-6-(trifluoromethyl)phenyl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru](=CC3=CC=CC=C3OC4=CC=CS4)(Cl)Cl)C5=C(C=C(C=C5C)C)C)C

DOS

IR

Vibrations