Geometry & MOs

Info

ID:

224055

PubChem CID:

85337649

Reduced:

BrO2N6C25H33 (1)

Stoich.:

AB2C6D25E33 (1)

Weight, g/mol:

529.170115

ΔHf, kcal/mol:

-2.87

Dipole, Da:

3.12

IP(EA), eV:

 -8.88(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-chloro-9-[1-fluoro-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-5,17-dihydroxy-16,18-dimethyl-8,14-dioxaspiro[3.15]nonadec-11-ene-7,19-dione

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=NO)C2=CC=C(C=C2)Br)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C

DOS

IR

Vibrations