Geometry & MOs

Info

ID:

436026

PubChem CID:

135193417

Reduced:

S2N5O8C64H75 (1)

Stoich.:

A2B5C8D64E75 (1)

Weight, g/mol:

564.20999

ΔHf, kcal/mol:

-185.27

Dipole, Da:

9.56

IP(EA), eV:

 -7.8(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[3-bromo-10-[[3-(2-methylprop-2-enoylamino)propylamino]methyl]anthracen-9-yl]methylamino]propyl]-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(=C)C(=O)NCCCNCC1=C2C=CC(=CC2=C(C3=CC=CC=C31)CNCCCNC(=O)C(=C)C)C#C/C(=C\C=C/4\C(C5=CC=CC=C5N4CCCS(=O)(=O)O)(C)C)/C=C/C6=C(C7=CC=CC=C7C6(C)C)CCCS(=O)(=O)O

DOS

IR

Vibrations