Geometry & MOs

Info

ID:

440161

PubChem CID:

135230070

Reduced:

N3C25H43 (1)

Stoich.:

A3B25C43 (1)

Weight, g/mol:

821.280563

ΔHf, kcal/mol:

-7.23

Dipole, Da:

2.32

IP(EA), eV:

 -8.22(2.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6-dichloro-4-[3-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]-N-[1-(4-formamidophenyl)propan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC12CCC1CN(C2)C3CCC4(C(C3)CCC(N4)CC56CCC(CC5)CN6)C

DOS

IR

Vibrations