Geometry & MOs

Info

ID:

127217

PubChem CID:

50995010

Reduced:

O4F5N5H20C27 (1)

Stoich.:

A4B5C5D20E27 (1)

Weight, g/mol:

574.118603

ΔHf, kcal/mol:

-202.03

Dipole, Da:

6.21

IP(EA), eV:

 -9.34(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(2,4-dichloro-6-ethoxyphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-(2-ethoxyethoxy)-5-fluoropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=CC(=C(C=C1)C2=NOC(=C2)C(C(=O)OC)N3C=C4C(=NC(=N4)C5=C(C(=CC=C5)F)F)C=N3)C(F)(F)F

DOS

IR

Vibrations