Geometry & MOs

Info

ID:

80176

PubChem CID:

49833409

Reduced:

ON4H17C18 (2)

Stoich.:

AB4C17D18 (2)

Weight, g/mol:

723.271562

ΔHf, kcal/mol:

108.21

Dipole, Da:

2.63

IP(EA), eV:

 -8.42(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-4-[6-[2-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(CCO)CC1=CC(=C(C=C1)OC)NC2=NC=CC(=N2)C3=C(N=C4N3C=CC=C4)C5=CC6=C(C=C5)N=C(N6)CC7=CC=CC=C7

DOS

IR

Vibrations