Geometry & MOs

Info

ID:

442239

PubChem CID:

135250768

Reduced:

S3N8C40H46 (1)

Stoich.:

A3B8C40D46 (1)

Weight, g/mol:

602.275387

ΔHf, kcal/mol:

120.25

Dipole, Da:

8.55

IP(EA), eV:

 -9.01(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[2,6-bis[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-3-yl]pyrimidin-4-yl]pyridin-3-yl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(C(SC(=N1)C2=CN=CC(=C2)C3=CC(=NC(=N3)C4=CC(=CN=C4)C5=NC(C(S5)(C)C)(C)C)C6=CC(=CN=C6)C7=NC(C(S7)(C)C)(C)C)(C)C)C

DOS

IR

Vibrations