Geometry & MOs

Info

ID:

436527

PubChem CID:

135204956

Reduced:

FN6O6H37C40 (1)

Stoich.:

AB6C6D37E40 (1)

Weight, g/mol:

579.159722

ΔHf, kcal/mol:

-147.2

Dipole, Da:

10.05

IP(EA), eV:

 -8.69(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxopyridin-1-yl]-N-quinoxalin-6-ylpentanamide

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(C=CC=C1N2C=CC3=CC(=CC(=C3C2=O)F)C4CC4)C5=C6C(=NN(C6=NC=C5)CC7=CC=C(C=C7)OC)N[C@@H]8CCN(C8)C(=O)O

DOS

IR

Vibrations