Geometry & MOs

Info

ID:

420956

PubChem CID:

135115121

Reduced:

FN3O6C27H32 (1)

Stoich.:

AB3C6D27E32 (1)

Weight, g/mol:

523.279469

ΔHf, kcal/mol:

-254.4

Dipole, Da:

8.11

IP(EA), eV:

 -9.53(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,17R,18S)-5-methoxy-12-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-7-oxa-12,15,22-triazatetracyclo[15.5.1.12,6.018,22]tetracosa-2(24),3,5-trien-14-one

Drug info:

PubChemData

Smile

COC1=C2C=CC(=C1)C(=O)NCCCN(CCCC(=O)NCC3=C(O2)C=CC=C3F)C(=O)C4CCOC4

DOS

IR

Vibrations