Geometry & MOs

Info

ID:	298236
PubChem CID:	117648102
Reduced:	F2O4N7C30H37 (1)
Stoich.:	A2B4C7D30E37 (1)
Weight, g/mol:	602.206822
ΔH_f, kcal/mol:	-212.05
Dipole, Da:	4.86
IP(EA), eV:	-8.47(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-9-(12-phenylchrysen-6-yl)fluoreno[4,3-b][1]benzothiole

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](CC1=CC=CC=C1)NC2=C(C=C(C(=N2)NC3=CC(=C(N=C3)N4CCOCC4)F)C(=O)N)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations