Geometry & MOs

Info

ID:

44018

PubChem CID:

10322924

Reduced:

ClSN4O5C21H25 (1)

Stoich.:

ABC4D5E21F25 (1)

Weight, g/mol:

444.216141

ΔHf, kcal/mol:

-167.86

Dipole, Da:

6.49

IP(EA), eV:

 -9.75(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-N-[(2-ethoxynaphthalen-1-yl)methyl]-N-methyl-3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=C(C=C1)[C@@H](CC2CCCC2)C(=O)NC3=NC=C(N=C3)C(C(=O)N)O)Cl

DOS

IR

Vibrations