Geometry & MOs

Info

ID:

326093

PubChem CID:

126686443

Reduced:

SF3N5O5H26C28 (1)

Stoich.:

AB3C5D5E26F28 (1)

Weight, g/mol:

487.167811

ΔHf, kcal/mol:

-246.3

Dipole, Da:

12.7

IP(EA), eV:

 -9.25(-2.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-ylpyridin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

C[C@@]12CN(CCN1C(=O)N(C2=O)[C@H]3C[C@@H]3C4=CC=CC=C4)C(=O)NC5=C([NH+]=CC=C5)C6=CSC=C6.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations