Geometry & MOs

Info

ID:

80115

PubChem CID:

49833046

Reduced:

N3O3C26H35 (1)

Stoich.:

A3B3C26D35 (1)

Weight, g/mol:

650.218799

ΔHf, kcal/mol:

-70.55

Dipole, Da:

4.27

IP(EA), eV:

 -8.26(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(pyrrolidin-1-ylmethyl)phenyl]-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

COC1=CC=C(C=C1)NC(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]2C(=O)NCCCCN4CCCC4)C35CC5

DOS

IR

Vibrations