Geometry & MOs

Info

ID:

442204

PubChem CID:

135250524

Reduced:

S2N7H27C29 (1)

Stoich.:

A2B7C27D29 (1)

Weight, g/mol:

505.222623

ΔHf, kcal/mol:

161.68

Dipole, Da:

1.45

IP(EA), eV:

 -8.8(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CSC(=N1)C2=NC=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=CN=C(C=C5)C6=NC(CS6)(C)C)C

DOS

IR

Vibrations