Geometry & MOs

Info

ID:

80360

PubChem CID:

49834155

Reduced:

BrClN2O2H20C25 (1)

Stoich.:

ABC2D2E20F25 (1)

Weight, g/mol:

602.221243

ΔHf, kcal/mol:

-9.68

Dipole, Da:

4.51

IP(EA), eV:

 -8.81(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxy-1-N-[4-[6-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)OC4=CC=C(C=C4)Cl)C5=C(N3)C=CC(=C5)Br

DOS

IR

Vibrations