Geometry & MOs

Info

ID:

219160

PubChem CID:

85091116

Reduced:

OS2N3H24C27 (1)

Stoich.:

AB2C3D24E27 (1)

Weight, g/mol:

642.205222

ΔHf, kcal/mol:

97.95

Dipole, Da:

1.95

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.406158

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-(1-hydroxyethyl)-5-[1-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxyethyl]phenyl]ethyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC3=CC=CC=C32)SC1=C4C(=O)N(C(=CC5=CC=CC=[N+]5CC=C)S4)CC=C

DOS

IR

Vibrations