Geometry & MOs

Info

ID:

151112

PubChem CID:

53790810

Reduced:

O6C27H34 (1)

Stoich.:

A6B27C34 (1)

Weight, g/mol:

719.310118

ΔHf, kcal/mol:

-210.69

Dipole, Da:

8.46

IP(EA), eV:

 -9.01(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(formamidomethoxy)-4-[2-(methanesulfonamido)-1H-benzimidazol-4-yl]-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzamide

Drug info:

PubChemData

Smile

CCC=CCCOC1=C(C(=O)OC2=C1C=CC(=C2)OCC=C(C)CCC=C(C)C)OC(=O)C

DOS

IR

Vibrations