Geometry & MOs

Info

ID:

132396

PubChem CID:

51356405

Reduced:

SN3O13C37H57 (1)

Stoich.:

AB3C13D37E57 (1)

Weight, g/mol:

386.06023

ΔHf, kcal/mol:

-574.58

Dipole, Da:

7.45

IP(EA), eV:

 -7.76(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.C(CCCNC(=O)[C@@H]([C@@H]([C@@H](C[C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CCC(=O)O

DOS

IR

Vibrations