Geometry & MOs

Info

ID:	328357
PubChem CID:	126700806
Reduced:	FSO3N5H20C21 (1)
Stoich.:	ABC3D5E20F21 (1)
Weight, g/mol:	581.192569
ΔH_f, kcal/mol:	-79.48
Dipole, Da:	7.67
IP(EA), eV:	-8.5(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-9-[6-(6-phenyldibenzothiophen-4-yl)-1,2-dihydropyrimidin-2-yl]carbazole

Drug info:

PubChemData

Smile

C[C@H](C(=O)N)OC1=CC2=C3C(=C1)OCCCCN3C(=N2)C4=C(C5=C(C=C4)N=C(S5)N)F

DOS

IR

Vibrations