Geometry & MOs

Info

ID:

5909

PubChem CID:

14010

Reduced:

ClFN4O10C34H38 (1)

Stoich.:

ABC4D10E34F38 (1)

Weight, g/mol:

716.226049

ΔHf, kcal/mol:

-362.62

Dipole, Da:

5.03

IP(EA), eV:

 -8.69(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

but-2-enedioic acid;7-chloro-1-[3-[4-(2-ethenoxyethyl)piperazin-1-yl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C=COCCN1CCN(CC1)CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations