Geometry & MOs

Info

ID:

326081

PubChem CID:

126686381

Reduced:

O4N5C30H35 (1)

Stoich.:

A4B5C30D35 (1)

Weight, g/mol:

493.179518

ΔHf, kcal/mol:

-115.3

Dipole, Da:

3.92

IP(EA), eV:

 -9.41(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8aS)-N-[(3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C(C1)C2=CC=CC=C2)NC(=O)N3CCN4C(=O)N(C(=O)[C@@]4(C3)C)[C@H]5C[C@@H]5C6=CC=CC=C6

DOS

IR

Vibrations