Geometry & MOs

Info

ID:

45213

PubChem CID:

10509540

Reduced:

O3N7C50H51 (1)

Stoich.:

A3B7C50D51 (1)

Weight, g/mol:

800.285589

ΔHf, kcal/mol:

90.92

Dipole, Da:

5.86

IP(EA), eV:

 -8.9(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[bis[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC)N(C)C(=O)C=C(CC)CC

DOS

IR

Vibrations