Geometry & MOs

Info

ID:

423715

PubChem CID:

135120064

Reduced:

SO6N8C39H48 (1)

Stoich.:

AB6C8D39E48 (1)

Weight, g/mol:

328.153541

ΔHf, kcal/mol:

-155.27

Dipole, Da:

2.95

IP(EA), eV:

 -8.5(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-ethoxypyridin-3-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)CC4=NC5=C(C=CC=C5OC)C=C4)C)C)C(C)C

DOS

IR

Vibrations