Geometry & MOs

Info

ID:	328904
PubChem CID:	126729047
Reduced:	F2N4O8C25H34 (1)
Stoich.:	A2B4C8D25E34 (1)
Weight, g/mol:	622.207885
ΔH_f, kcal/mol:	-452.54
Dipole, Da:	10.96
IP(EA), eV:	-9.93(-0.88)
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]-4,6-diphenylpyrimidine

Drug info:

PubChemData

Smile

CCN[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC(=C(C=C1)F)F)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)C

DOS

IR

Vibrations