Geometry & MOs

Info

ID:

418070

PubChem CID:

135103461

Reduced:

O6N8C39H46 (1)

Stoich.:

A6B8C39D46 (1)

Weight, g/mol:

290.13789

ΔHf, kcal/mol:

-176.44

Dipole, Da:

12.48

IP(EA), eV:

 -9.03(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N1)C(C)C)C)C)CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N=CN4)C5=CC=CC=C5

DOS

IR

Vibrations