Geometry & MOs

Info

ID:

307918

PubChem CID:

125310751

Reduced:

SO3N5H25C26 (1)

Stoich.:

AB3C5D25E26 (1)

Weight, g/mol:

390.106294

ΔHf, kcal/mol:

40.14

Dipole, Da:

6.02

IP(EA), eV:

 -8.86(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=N[C@@H](SC2)N3C(=CC(=N3)C)NC(=O)C(=O)C4=C5C=CC=CC5=N[C@H]4C

DOS

IR

Vibrations