Geometry & MOs

Info

ID:

421233

PubChem CID:

135115628

Reduced:

ON5C19H23 (1)

Stoich.:

AB5C19D23 (1)

Weight, g/mol:

537.295119

ΔHf, kcal/mol:

23.23

Dipole, Da:

3.73

IP(EA), eV:

 -8.63(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,17R,18S)-12-[2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)acetyl]-5-methoxy-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

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CC=NC=C4

DOS

IR

Vibrations