Geometry & MOs

Info

ID:

214863

PubChem CID:

85083760

Reduced:

ClN2F4O7H27C29 (1)

Stoich.:

AB2C4D7E27F29 (1)

Weight, g/mol:

626.24584

ΔHf, kcal/mol:

-434.25

Dipole, Da:

3.81

IP(EA), eV:

 -9.19(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[5-(4-bromophenyl)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentyl]acetic acid

Drug info:

PubChemData

Smile

CCC(C(=O)NC(CC(=O)OC1CCOCC1)C(=O)COC2=C(C(=CC(=C2F)F)F)F)N3C=CC4=C(C3=O)C=C(C=C4)Cl

DOS

IR

Vibrations