Geometry & MOs

Info

ID:

420611

PubChem CID:

135114330

Reduced:

ON8C21H30 (1)

Stoich.:

AB8C21D30 (1)

Weight, g/mol:

608.221718

ΔHf, kcal/mol:

23.46

Dipole, Da:

2.5

IP(EA), eV:

 -8.57(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-fluoro-23-methoxy-15-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C4=NC(=NC(=C4)N)N5CCOCC5

DOS

IR

Vibrations