Geometry & MOs

Info

ID:

379291

PubChem CID:

134357073

Reduced:

O3N6C23H32 (1)

Stoich.:

A3B6C23D32 (1)

Weight, g/mol:

426.181567

ΔHf, kcal/mol:

-79.83

Dipole, Da:

5.4

IP(EA), eV:

 -8.35(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-(5-fluoropyridin-3-yl)buta-1,3-dienyl]acetamide

Drug info:

PubChemData

Smile

CCC1=C(N(CCCC1)CC(=O)N/C(=C/C=C(/C2=CN=CC(=C2)C)\N)/N)C(=O)N(C)C=O

DOS

IR

Vibrations