Geometry & MOs

Info

ID:

429817

PubChem CID:

135169870

Reduced:

SO2F3N3H12C14 (1)

Stoich.:

AB2C3D3E12F14 (1)

Weight, g/mol:

512.147207

ΔHf, kcal/mol:

-167.47

Dipole, Da:

5.16

IP(EA), eV:

-9.08(-1.34)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1Z)-2-(9,9-difluoro-7-propan-2-yl-5-thia-8,11-diazatricyclo[6.3.1.02,6]dodeca-1,3,6,10-tetraen-10-yl)-3-N-[5-phosphanyl-6-(triazol-2-yl)pyridin-3-yl]buta-1,3-diene-1,3-diamine

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/N)/C(=NC1=CN=CC2=C1C=CS2)C(F)(F)F

DOS

IR

Vibrations