Geometry & MOs

Info

ID:

45123

PubChem CID:

10508190

Reduced:

SN5O5C34H35 (1)

Stoich.:

AB5C5D34E35 (1)

Weight, g/mol:

625.315186

ΔHf, kcal/mol:

-107.19

Dipole, Da:

3.76

IP(EA), eV:

 -8.87(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-[4-[3-[4-(3-methyl-1,4-dioxonaphthalen-2-yl)butanoylamino]propylamino]butyl]butanamide

Drug info:

PubChemData

Smile

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)C5=CC=CC=C5)C(=O)N(C=C2)CC(=O)N(C)C

DOS

IR

Vibrations