Geometry & MOs

Info

ID:

326094

PubChem CID:

126686444

Reduced:

SO3N5H25C26 (1)

Stoich.:

AB3C5D25E26 (1)

Weight, g/mol:

459.086495

ΔHf, kcal/mol:

-6.31

Dipole, Da:

3.6

IP(EA), eV:

 -9.11(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,5-dichloropyridin-4-yl)-1,3-dioxo-2-[(1R,2S)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[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(N=CC=C5)C6=CSC=C6

DOS

IR

Vibrations