Geometry & MOs

Info

ID:

127267

PubChem CID:

50996623

Reduced:

ClFSO4N7C24H27 (1)

Stoich.:

ABCD4E7F24G27 (1)

Weight, g/mol:

608.036566

ΔHf, kcal/mol:

-108.61

Dipole, Da:

7.11

IP(EA), eV:

 -8.87(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-chloro-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-[2-(propanoylamino)ethoxy]benzamide

Drug info:

PubChemData

Smile

C[C@@H](CNC1=NC=CC(=N1)C2=C(N=C(N2)C3CC3)C4=C(C(=CC(=C4)Cl)NS(=O)(=O)C5CC5)F)NC(=O)OC

DOS

IR

Vibrations