Geometry & MOs

Info

ID:

186751

PubChem CID:

77478601

Reduced:

O2F3N9C25H32 (1)

Stoich.:

A2B3C9D25E32 (1)

Weight, g/mol:

747.290233

ΔHf, kcal/mol:

-153.68

Dipole, Da:

5.81

IP(EA), eV:

 -8.9(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(dihydroxyamino)oxybutyl 4-[2-(12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl)-2-oxoethoxy]carbonyloxy-3-methoxybenzoate

Drug info:

PubChemData

Smile

CCC1CN(CCN1C(=O)CC)C2=NC3=C(N2CC(F)(F)F)N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)C

DOS

IR

Vibrations