Geometry & MOs

Info

ID:	328932
PubChem CID:	126729319
Reduced:	O2C21H34 (1)
Stoich.:	A2B21C34 (1)
Weight, g/mol:	547.171834
ΔH_f, kcal/mol:	-126.26
Dipole, Da:	2.68
IP(EA), eV:	-9.76(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(7,7-dimethylxantheno[5,6-b][1]benzothiol-9-yl)phenyl]-4-phenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

CC(=C)C(CC(C)(C)C)C(=O)OCC12CCC(C1)C3C2CCC3

DOS

IR

Vibrations