Geometry & MOs

Info

ID:

5972

PubChem CID:

14204

Reduced:

ClFN4O10C32H36 (1)

Stoich.:

ABC4D10E32F36 (1)

Weight, g/mol:

690.210399

ΔHf, kcal/mol:

-394.33

Dipole, Da:

7.11

IP(EA), eV:

 -8.73(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F)CCO.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations