Geometry & MOs

Info

ID:

83926

PubChem CID:

49862585

Reduced:

FO2N5C22H26 (1)

Stoich.:

AB2C5D22E26 (1)

Weight, g/mol:

465.254003

ΔHf, kcal/mol:

-71.03

Dipole, Da:

7.98

IP(EA), eV:

 -9.16(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-3-[(3aS,6aR)-5-(pyrazine-2-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CCN1C[C@@H]2CN(C[C@@H]2C1)C(=O)C3=NC=CN=C3)C4=CC(=CC=C4)F

DOS

IR

Vibrations