Geometry & MOs

Info

ID:	442193
PubChem CID:	135250441
Reduced:	NOH17C20 (2)
Stoich.:	ABC17D20 (2)
Weight, g/mol:	606.216341
ΔH_f, kcal/mol:	51.4
Dipole, Da:	1.22
IP(EA), eV:	-8.64(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]triphenylen-1-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole

Drug info:

PubChemData

Smile

CC1(COC(=N1)C2=CC=C(C=C2)C3=C4C5=CC=CC=C5C6=CC=CC=C6C4=C(C=C3)C7=CC=C(C=C7)C8=NC(CO8)(C)C)C

DOS

IR

Vibrations